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[ CAS No. 4353-32-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 4353-32-6
Chemical Structure| 4353-32-6
Structure of 4353-32-6 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 4353-32-6 ]

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Product Citations

Product Details of [ 4353-32-6 ]

CAS No. :4353-32-6 MDL No. :MFCD00077167
Formula : C13H20N4O4S Boiling Point : No data available
Linear Structure Formula :- InChI Key :SLTWQHUEZWYAOI-NSHDSACASA-N
M.W : 328.39 Pubchem ID :7408233
Synonyms :

Calculated chemistry of [ 4353-32-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.38
Num. rotatable bonds : 9
Num. H-bond acceptors : 6.0
Num. H-bond donors : 5.0
Molar Refractivity : 82.21
TPSA : 153.75 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -9.51 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.63
Log Po/w (XLOGP3) : -1.7
Log Po/w (WLOGP) : 1.07
Log Po/w (MLOGP) : -2.4
Log Po/w (SILICOS-IT) : -0.38
Consensus Log Po/w : -0.36

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.41
Solubility : 127.0 mg/ml ; 0.387 mol/l
Class : Very soluble
Log S (Ali) : -1.02
Solubility : 31.7 mg/ml ; 0.0964 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.16
Solubility : 0.228 mg/ml ; 0.000693 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.17

Safety of [ 4353-32-6 ]

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

Application In Synthesis of [ 4353-32-6 ]

* 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.

  • Downstream synthetic route of [ 4353-32-6 ]

[ 4353-32-6 ] Synthesis Path-Downstream   1~16

  • 1
  • [ 4353-32-6 ]
  • [ 117922-49-3 ]
  • [ 117902-97-3 ]
  • 2
  • [ 4353-32-6 ]
  • [ 88419-43-6 ]
  • Z(OMe)-Lys(Z)-Tyr-Arg(Tos)-OH [ No CAS ]
  • 3
  • [ 4353-32-6 ]
  • [(R)-5-[(S)-1-Azidocarbonyl-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-5-(4-methoxy-benzyloxycarbonylamino)-pentyl]-carbamic acid benzyl ester [ No CAS ]
  • [ 97186-06-6 ]
  • 5
  • [ 4353-32-6 ]
  • [ 75-07-0 ]
  • (Nα-Et)Arg(Tos) [ No CAS ]
  • 6
  • [ 1234-35-1 ]
  • [ 98-59-9 ]
  • [ 4353-32-6 ]
  • 7
  • [ 30761-96-7 ]
  • [ 4353-32-6 ]
  • p-Methoxybenzyloxycarbonyl-arginin-tosylat [ No CAS ]
  • 8
  • [ 53122-06-8 ]
  • [ 4353-32-6 ]
  • [ 52885-31-1 ]
  • 9
  • [ 1871-76-7 ]
  • [ 4353-32-6 ]
  • Nα-(diphenylmethylcarbonyl)-toluenesulfonyl-L-arginine [ No CAS ]
  • 10
  • [ 5854-52-4 ]
  • [ 4353-32-6 ]
  • Nα-(1-adamantyloxycarbonyl)-toluenesulfonyl-L-arginine [ No CAS ]
  • 11
  • [ 33948-19-5 ]
  • [ 4353-32-6 ]
  • Nα-(10,11-dihydroo-5H-dibenz[b.f]azepine-5-carbonyl)toluenesulfonyl-L-arginine [ No CAS ]
  • 12
  • [ 13650-38-9 ]
  • [ 4353-32-6 ]
  • 14
  • [ 4353-32-6 ]
  • H-(S)-NG-p-toluenesulfonyl-5-guanidino-2-hydroxy-pentanoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
15% With tert.-butylnitrite; In 1,4-dioxane; water; at 20.0℃; for 1.0h;Inert atmosphere; General procedure: The Boc-protected amino acid (1 mmol) was treated with TFA (3 mL) for 15 minutes. Afterevaporation the residue was dissolved in dioxane-water (1:1, 4 mL) and the flask wasplaced in an ice bath. tert-Butylnitrite (0.13 mL, 1.1 mmol) was added and stirring wasmaintained under nitrogen at room temperature for one hour. After pouring the reactionmixture onto celite and evaporation (50 Pa, 30 C) into a dry free-floating powder,separation was performed utilizing a CombiFlash Rf (Teledyne ISCO) automated flashchromatography apparatus by means of AcOH-MeOH-EtOAc (1:9:90) on a normal phasesilica column affording the pure a-hydroxy carboxylic acid in the yield specified in Table 1.HO-His(Bom)-OH and HO-<strong>[4353-32-6]Arg(Tos)</strong>-OH were isolated by adding water (30 mL) to thereaction mixture followed by freeze drying and HPLC purification.
  • 15
  • [ 1234-35-1 ]
  • [ 4353-32-6 ]
  • 16
  • [ 98-59-9 ]
  • 1-propyloxy-ethanol-(2) [ No CAS ]
  • [ 4353-32-6 ]
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