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CAS 332062-01-8 (S)-3-Amino-4,4-diphenylbutyric acid hydrochloride molecular structure lightbox
CAS RN: 332062-01-8

(S)-3-Amino-4,4-diphenylbutyric acid hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251028 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-139163
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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 332062-01-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

332062-01-8 / (3S)-3-amino-4,4-diphenylbutanoic acid;hydrochloride

Standard CAS: 332062-01-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
332062-01-8
Multi CAS
Yes
Molecular Formula
C16H18CLNO2
Molecular Weight
291.770000
Exact Mass
291.102607
InChI
InChI=1S/C16H17NO2.ClH/c17-14(11-15(18)19)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14,16H,11,17H2,(H,18,19);1H/t14-;/m0./s1
InChIKey
HCLDRTLSHQUFBA-UQKRIMTDSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
82.2
TPSA
63.32

LogP / Solubility

WLOGP
3.04
MLOGP
2.69
XLogP3
3.04
Consensus LogP
2.92
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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