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CAS 1275482-57-9 4-((2-methoxyphenyl)amino)benzoic acid molecular structure lightbox
CAS RN: 1275482-57-9

4-((2-methoxyphenyl)amino)benzoic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250711 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1275482-57-9
  • Purity/Analytical Methods: >99.0%
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1275482-57-9 / 4-(2-methoxyanilino)benzoic acid

Standard CAS: 1275482-57-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1275482-57-9
Multi CAS
No
Molecular Formula
C14H13NO3
Molecular Weight
243.260000
Exact Mass
243.089543
SMILES
COC1=CC=CC=C1NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H13NO3/c1-18-13-5-3-2-4-12(13)15-11-8-6-10(7-9-11)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKey
QVPCGPXETWLTDU-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
3
Consensus LogP
2.97
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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