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CAS 36802-69-4 2-(4-Amino-3-chlorophenyl)propanoic acid molecular structure lightbox
CAS RN: 36802-69-4

2-(4-Amino-3-chlorophenyl)propanoic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250714 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-144046
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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 36802-69-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

36802-69-4 / 2-(4-amino-3-chlorophenyl)propanoic acid

Standard CAS: 36802-69-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36802-69-4
Multi CAS
Yes
Molecular Formula
C9H10CLNO2
Molecular Weight
199.630000
Exact Mass
199.040006
InChI
InChI=1S/C9H10ClNO2/c1-5(9(12)13)6-2-3-8(11)7(10)4-6/h2-5H,11H2,1H3,(H,12,13)
InChIKey
KLLHOJJBWVFBDF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.92
TPSA
63.32

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
1.9
Consensus LogP
1.96
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.44

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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