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CAS 91-40-7 2-Anilinobenzoic Acid molecular structure lightbox
CAS RN: 91-40-7

2-Anilinobenzoic Acid

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260515 100g In stock Tianjin, Chengdu Inquiry
Batchno.20251218 10g In stock Shanghai, Tianjin Inquiry
Batchno.20260224 1kg Out of stock Inquiry
Batchno.20260201 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250826 500g In stock Chengdu Inquiry
Batchno.20251010 5g In stock Shanghai Inquiry
  • Product code: SSC-203759
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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: 10g, 25g, 100g
  • Available purity: ≥98%
  • 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 91-40-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

91-40-7 / 2-anilinobenzoic acid

Standard CAS: 91-40-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
91-40-7
Multi CAS
Yes
Molecular Formula
C13H11NO2
Molecular Weight
213.230000
Exact Mass
213.078979
InChI
InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
InChIKey
ZWJINEZUASEZBH-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid; [Merck Index] Off-white powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.13
TPSA
49.33

LogP / Solubility

WLOGP
3.13
MLOGP
2.75
XLogP3
4.4
Consensus LogP
3.43
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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