成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 5111-65-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 5111-65-9
Chemical Structure| 5111-65-9
Structure of 5111-65-9 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 5111-65-9 ]

Related Doc. of [ 5111-65-9 ]

Alternatived Products of [ 5111-65-9 ]
Product Citations

Product Details of [ 5111-65-9 ]

CAS No. :5111-65-9 MDL No. :MFCD00004062
Formula : C11H9BrO Boiling Point : -
Linear Structure Formula :- InChI Key :AYFJBMBVXWNYLT-UHFFFAOYSA-N
M.W : 237.09 Pubchem ID :78786
Synonyms :

Calculated chemistry of [ 5111-65-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.09
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 58.14
TPSA : 9.23 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.79 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.68
Log Po/w (XLOGP3) : 4.16
Log Po/w (WLOGP) : 3.61
Log Po/w (MLOGP) : 3.52
Log Po/w (SILICOS-IT) : 3.63
Consensus Log Po/w : 3.52

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -4.43
Solubility : 0.00873 mg/ml ; 0.0000368 mol/l
Class : Moderately soluble
Log S (Ali) : -4.06
Solubility : 0.0206 mg/ml ; 0.0000867 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.06
Solubility : 0.00207 mg/ml ; 0.00000873 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 1.25

Safety of [ 5111-65-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 5111-65-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 5111-65-9 ]

[ 5111-65-9 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 5111-65-9 ]
  • [ 145369-29-5 ]
  • 2
  • [ 5111-65-9 ]
  • [ 133997-05-4 ]
  • [ 371136-32-2 ]
  • 3
  • [ 5111-65-9 ]
  • [ 116332-54-8 ]
  • (4-fluorophenyl)-(6-methoxynaphthalen-2-yl)methanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
26% A solution of n-BuLi (11.76mL, 18.82mmol, 1.6M in hexane) was added dropwise to a cold (-78C) stirred solution of 6-bromo-2-methoxynaphthalene (4.24g, 17.90mmol) in anhydrous THF (75mL). After 30min <strong>[116332-54-8]4-fluoro-N-methoxy-N-methylbenzamide</strong> 7a (1.64g, 8.96mmol) in anhydrous THF (15mL) was added slowly over 10min. The resulting mixture was stirred for 2h whilst warming to room temperature. Water (100mL) was added and the organic layer was separated. The aqueous layer was extracted with ethyl acetate (3×50mL), and the combined organic extracts were dried over anhydrous Na2SO4. Removal of the solvent under vacuum afforded the crude 6-(4-fluorobenzoyl)-2-methoxynaphthalene 18a as an off-white solid in 26% yield after crystallisation from ethanol, mp 113-115C; numax 660, 893, 918, 960, 1151, 1225, 1388, 1504, 1619, 1648, 2921cm-1; deltaH 3.97 (3H, s, OMe), 7.19 (4H, m, Ar-H, 1-H), 7.81 (1H, d, J=8.7Hz, 4-H), 7.82 (1H, d, J=8.5Hz, 8-H), 7.88 (3H, m, Ar-H), 8.18 (1H, d, J=1.2Hz, 5-H). Found [M+H]+=281.0973. C18H13FO2 requires [M+H]+=281.0972.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 5111-65-9 ]

Aryls

Chemical Structure| 29578-83-4

[ 29578-83-4 ]

1-Bromo-3-methoxy-5-methylbenzene

Similarity: 0.91

Chemical Structure| 14804-31-0

[ 14804-31-0 ]

4-Bromo-1-methoxy-2-methylbenzene

Similarity: 0.91

Chemical Structure| 95740-49-1

[ 95740-49-1 ]

1-Bromo-2-methoxy-4-methylbenzene

Similarity: 0.89

Chemical Structure| 116230-30-9

[ 116230-30-9 ]

7-Bromonaphthalen-2-ol

Similarity: 0.89

Chemical Structure| 105404-89-5

[ 105404-89-5 ]

2,7-Dibromo-3,6-dimethoxynaphthalene

Similarity: 0.88

Bromides

Chemical Structure| 29578-83-4

[ 29578-83-4 ]

1-Bromo-3-methoxy-5-methylbenzene

Similarity: 0.91

Chemical Structure| 14804-31-0

[ 14804-31-0 ]

4-Bromo-1-methoxy-2-methylbenzene

Similarity: 0.91

Chemical Structure| 95740-49-1

[ 95740-49-1 ]

1-Bromo-2-methoxy-4-methylbenzene

Similarity: 0.89

Chemical Structure| 116230-30-9

[ 116230-30-9 ]

7-Bromonaphthalen-2-ol

Similarity: 0.89

Chemical Structure| 105404-89-5

[ 105404-89-5 ]

2,7-Dibromo-3,6-dimethoxynaphthalene

Similarity: 0.88

Ethers

Chemical Structure| 29578-83-4

[ 29578-83-4 ]

1-Bromo-3-methoxy-5-methylbenzene

Similarity: 0.91

Chemical Structure| 14804-31-0

[ 14804-31-0 ]

4-Bromo-1-methoxy-2-methylbenzene

Similarity: 0.91

Chemical Structure| 95740-49-1

[ 95740-49-1 ]

1-Bromo-2-methoxy-4-methylbenzene

Similarity: 0.89

Chemical Structure| 105404-89-5

[ 105404-89-5 ]

2,7-Dibromo-3,6-dimethoxynaphthalene

Similarity: 0.88

Chemical Structure| 62012-54-8

[ 62012-54-8 ]

2-Bromo-1-methoxynaphthalene

Similarity: 0.88

; ;