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CAS 35401-46-8 H-BETA-CHLORO-DL-ALA-OH HCL molecular structure lightbox
CAS RN: 35401-46-8

H-BETA-CHLORO-DL-ALA-OH HCL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250227 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS35401-46-8
  • Purity/Analytical Methods: >99.0%
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35401-46-8 / (2R)-2-amino-3-chloropropanoic acid;hydrochloride

Standard CAS: 35401-46-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35401-46-8
Multi CAS
Yes
Molecular Formula
C3H7CL2NO2
Molecular Weight
160.000000
Exact Mass
158.985384
InChI
InChI=1S/C3H6ClNO2.ClH/c4-1-2(5)3(6)7;/h2H,1,5H2,(H,6,7);1H
InChIKey
IENJPSDBNBGIEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.58
TPSA
63.32

LogP / Solubility

WLOGP
0.06
MLOGP
0.05
XLogP3
0.06
Consensus LogP
0.06
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very soluble

ADME

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)
-3.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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