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CAS 264275-33-4 (S)-Methyl 2-aMino-3-benzaMidopropanoate hydrochloride molecular structure lightbox
CAS RN: 264275-33-4

(S)-Methyl 2-aMino-3-benzaMidopropanoate hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250410 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS264275-33-4
  • Purity/Analytical Methods: >99.0%
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264275-33-4 / methyl (2S)-2-amino-3-benzamidopropanoate;hydrochloride

Standard CAS: 264275-33-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
264275-33-4
Multi CAS
Yes
Molecular Formula
C11H15ClN2O3
Molecular Weight
258.700000
Exact Mass
258.077120
InChI
InChI=1S/C11H14N2O3.ClH/c1-16-11(15)9(12)7-13-10(14)8-5-3-2-4-6-8;/h2-6,9H,7,12H2,1H3,(H,13,14);1H/t9-;/m0./s1
InChIKey
RCXIHYHAQSRRSY-FVGYRXGTSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
66.01
TPSA
81.42

LogP / Solubility

WLOGP
0.34
MLOGP
0.3
XLogP3
0.34
Consensus LogP
0.33
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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