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CAS 27693-73-8 2-((3-methoxyphenyl)amino)benzoic acid molecular structure lightbox
CAS RN: 27693-73-8

2-((3-methoxyphenyl)amino)benzoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250622 1g In stock Shanghai Inquiry
  • Product code: SSC-127935
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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 27693-73-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

27693-73-8 / 2-(3-methoxyanilino)benzoic acid

Standard CAS: 27693-73-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27693-73-8
Multi CAS
No
Molecular Formula
C14H13NO3
Molecular Weight
243.260000
Exact Mass
243.089543
SMILES
COC1=CC=CC(=C1)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H13NO3/c1-18-11-6-4-5-10(9-11)15-13-8-3-2-7-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKey
SSRGDXQQJKAWKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
69.68
TPSA
58.56

LogP / Solubility

WLOGP
3.14
MLOGP
2.77
XLogP3
4.6
Consensus LogP
3.5
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.32
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)
-1.98

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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