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. 119-84-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 119-84-6
Chemical Structure| 119-84-6
Structure of 119-84-6 * 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 [ 119-84-6 ]

Related Doc. of [ 119-84-6 ]

Alternatived Products of [ 119-84-6 ]
Product Citations

Product Details of [ 119-84-6 ]

CAS No. :119-84-6 MDL No. :MFCD00006881
Formula : C9H8O2 Boiling Point : -
Linear Structure Formula :C6H4(CH2CH2C(O)O) InChI Key :VMUXSMXIQBNMGZ-UHFFFAOYSA-N
M.W : 148.16 Pubchem ID :660
Synonyms :
Hydrocoumarin;Chroman-2-one;DHC
Chemical Name :Chroman-2-One

Calculated chemistry of [ 119-84-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.22
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 40.79
TPSA : 26.3 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.04 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.76
Log Po/w (XLOGP3) : 1.64
Log Po/w (WLOGP) : 1.54
Log Po/w (MLOGP) : 1.86
Log Po/w (SILICOS-IT) : 2.46
Consensus Log Po/w : 1.85

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.2
Solubility : 0.945 mg/ml ; 0.00638 mol/l
Class : Soluble
Log S (Ali) : -1.81
Solubility : 2.32 mg/ml ; 0.0157 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.84
Solubility : 0.216 mg/ml ; 0.00146 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.78

Safety of [ 119-84-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 119-84-6 ]

* 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.

  • Upstream synthesis route of [ 119-84-6 ]
  • Downstream synthetic route of [ 119-84-6 ]

[ 119-84-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 119-84-6 ]
  • [ 128651-99-0 ]
YieldReaction ConditionsOperation in experiment
90% With Iodine monochloride In dichloromethane for 20 h; Inert atmosphere The synthesis was performed in analogy to Ref. [41]. In aflame dried and argon flushed 250 cm3 two-neck roundbottomflask equipped with dropping funnel and argon-inlet5.00 g dihydrocoumarin (15, 33.8 mmol) was dissolved in35 cm3 DCM. ICl (5.48 g, 33.8 mmol) dissolved in 35 cm3DCM was added through the dropping funnel within15 min. After full conversion (20 h), the reaction mixturewas diluted with 100 cm3 DCM and washed with 0.1 MNa2S2O3-solution (2 9 50 cm3). The combined aqueouslayers were re-extracted with DCM (2 9 50 cm3). Thecombined organic layers were washed with saturated NaClsolution (1 9 200 cm3), dried over MgSO4, filtered, andthe solvent was removed in vacuo. Recrystallization fromDCM/cyclohexane (1/4) afforded 8.28 g (90 percent) 16 ascolorless powder. M.p. 134–136 C (Ref. [37];133–134 C); NMR data were found to agree with thosedescribed in Ref. [41].
Reference： [1] Monatshefte fur Chemie, 2016, vol. 147, # 3, p. 509 - 521
[2] Journal of Organometallic Chemistry, 1990, vol. 387, # 3, p. 381 - 390
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;