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CAS 1045712-21-7 (R)-2-AMino-2-(2-chlorophenyl)acetic acid hydrochloride molecular structure lightbox
CAS RN: 1045712-21-7

(R)-2-AMino-2-(2-chlorophenyl)acetic acid hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251124 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-006339
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1045712-21-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

1045712-21-7 / (2R)-2-amino-2-(2-chlorophenyl)acetic acid;hydrochloride

2-AMINO-2-(2-CHLOROPHENYL)ACETIC ACID HYDROCHLORIDE | (S)-2-Amino-2-(2-chlorophenyl)acetic acid hydrochloride | 2-amino-2-(2-chlorophenyl)acetic acid;hydrochloride

Standard CAS: 1045712-21-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1045712-21-7
Multi CAS
Yes
Molecular Formula
C8H9Cl2NO2
Molecular Weight
222.070000
Exact Mass
221.001034
SMILES
C1=CC=C(C(=C1)[C@H](C(=O)O)N)Cl.Cl
InChI
InChI=1S/C8H8ClNO2.ClH/c9-6-4-2-1-3-5(6)7(10)8(11)12;/h1-4,7H,10H2,(H,11,12);1H/t7-;/m1./s1
InChIKey
GXBCSCVVIBVDFI-OGFXRTJISA-N
Synonyms
2-AMINO-2-(2-CHLOROPHENYL)ACETIC ACID HYDROCHLORIDE (S)-2-Amino-2-(2-chlorophenyl)acetic acid hydrochloride 2-amino-2-(2-chlorophenyl)acetic acid;hydrochloride (2S)-2-amino-2-(2-chlorophenyl)acetic acid hydrochloride SCHEMBL8015976

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.26
TPSA
63.32

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
1.85
Consensus LogP
1.78
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately 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)
-2.76

Drug-likeness / Medicinal Chemistry

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

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