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CAS 1240557-01-0 2-amino-[1,1′-biphenyl]-4,4′-dicarboxylic acid molecular structure lightbox
CAS RN: 1240557-01-0

2-amino-[1,1′-biphenyl]-4,4′-dicarboxylic acid

Product Availability

Choose a grade to view its available package options.

11 package records11 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250418 100mg In stock Inquiry
Batchno.20250203 1g In stock Inquiry
Batchno.20250610 250mg In stock Inquiry
Batchno.20250125 25g In stock Inquiry
Batchno.20260514 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 100g In stock Shanghai Inquiry
Batchno.20250110 100mg In stock Shanghai Inquiry
Batchno.20260410 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260526 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260121 25g In stock Shanghai Inquiry
Batchno.20251130 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-027794
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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 1240557-01-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

1240557-01-0 / 3-amino-4-(4-carboxyphenyl)benzoic acid

Standard CAS: 1240557-01-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1240557-01-0
Multi CAS
No
Molecular Formula
C14H11NO4
Molecular Weight
257.240000
Exact Mass
257.068808
SMILES
C1=CC(=CC=C1C2=C(C=C(C=C2)C(=O)O)N)C(=O)O
InChI
InChI=1S/C14H11NO4/c15-12-7-10(14(18)19)5-6-11(12)8-1-3-9(4-2-8)13(16)17/h1-7H,15H2,(H,16,17)(H,18,19)
InChIKey
FYEKGZUXGKAJJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
70.21
TPSA
100.62

LogP / Solubility

WLOGP
2.33
MLOGP
2.06
XLogP3
1.9
Consensus LogP
2.1
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
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
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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