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[ CAS No. 2462-31-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2462-31-9
Chemical Structure| 2462-31-9
Structure of 2462-31-9 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 2462-31-9 ]

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Product Details of [ 2462-31-9 ]

CAS No. :2462-31-9 MDL No. :MFCD00035442
Formula : C9H12ClNO2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :VLQHNAMRWPQWNK-UHFFFAOYSA-N
M.W : 201.65 Pubchem ID :11701227
Synonyms :
Chemical Name :H-DL-Gly-OBzl.HCl

Calculated chemistry of [ 2462-31-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.22
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 51.98
TPSA : 52.32 ?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) : -6.22 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.85
Log Po/w (WLOGP) : 1.34
Log Po/w (MLOGP) : 1.41
Log Po/w (SILICOS-IT) : 1.18
Consensus Log Po/w : 1.15

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.33
Solubility : 0.936 mg/ml ; 0.00464 mol/l
Class : Soluble
Log S (Ali) : -2.57
Solubility : 0.543 mg/ml ; 0.00269 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.53
Solubility : 0.598 mg/ml ; 0.00296 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.41

Safety of [ 2462-31-9 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2462-31-9 ]

* 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 [ 2462-31-9 ]

[ 2462-31-9 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 69651-48-5 ]
  • [ 2462-31-9 ]
  • [ 436848-83-8 ]
  • 2
  • [ 69651-48-5 ]
  • [ 2462-31-9 ]
  • HCl*H-L-Hpg-Gly-OBn [ No CAS ]
  • 3
  • [ 2462-31-9 ]
  • [ 23361-28-6 ]
  • BocNH-Val-Pro-Gly-OBn [ No CAS ]
  • 4
  • [ 2462-31-9 ]
  • [ 111061-55-3 ]
  • C47H42N2O6 [ No CAS ]
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