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CAS 1010129-08-4 (γR)-γ-AMinobenzenebutanoic Acid Hydrochloride molecular structure lightbox
CAS RN: 1010129-08-4

(γR)-γ-AMinobenzenebutanoic Acid Hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260507 100mg In stock Shanghai Inquiry
  • Product code: SSC-001876
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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: ≥95%
  • 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 1010129-08-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1010129-08-4 / (4R)-4-amino-4-phenylbutanoic acid;hydrochloride

4-amino-4-phenylbutanoic acid hydrochloride | RefChem:517879 | 869-674-9

Standard CAS: 1010129-08-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1010129-08-4
Multi CAS
Yes
Molecular Formula
C10H14ClNO2
Molecular Weight
215.670000
Exact Mass
215.071306
SMILES
C1=CC=C(C=C1)[C@@H](CCC(=O)O)N.Cl
InChI
InChI=1S/C10H13NO2.ClH/c11-9(6-7-10(12)13)8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);1H/t9-;/m1./s1
InChIKey
HWYVTLZMBWZXGN-SBSPUUFOSA-N
Synonyms
4-amino-4-phenylbutanoic acid hydrochloride RefChem:517879 869-674-9 4-Amino-4-phenyl-butyric acid hydrochloride MFCD17977124

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.49
TPSA
63.32

LogP / Solubility

WLOGP
1.97
MLOGP
1.74
XLogP3
1.97
Consensus LogP
1.89
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly 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)
-2.63

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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