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CAS 331847-13-3 (R)-3-AMINO-4-(2,4-DICHLOROPHENYL)BUTANOIC ACID HYDROCHLORIDE molecular structure lightbox
CAS RN: 331847-13-3

(R)-3-AMINO-4-(2,4-DICHLOROPHENYL)BUTANOIC ACID HYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250319 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-139131
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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 331847-13-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

331847-13-3 / (3R)-3-amino-4-(2,4-dichlorophenyl)butanoic acid;hydrochloride

Standard CAS: 331847-13-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
331847-13-3
Multi CAS
Yes
Molecular Formula
C10H12CL3NO2
Molecular Weight
284.600000
Exact Mass
282.993362
InChI
InChI=1S/C10H11Cl2NO2.ClH/c11-7-2-1-6(9(12)4-7)3-8(13)5-10(14)15;/h1-2,4,8H,3,5,13H2,(H,14,15);1H/t8-;/m1./s1
InChIKey
JNGZEMBEPQATGG-DDWIOCJRSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.64
TPSA
63.32

LogP / Solubility

WLOGP
2.76
MLOGP
2.44
XLogP3
2.76
Consensus LogP
2.65
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5

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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