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CAS 2480282-83-3 2′-amino-[1,1′:3′,1”-terphenyl]-4,4”-dicarboxylic acid molecular structure lightbox
CAS RN: 2480282-83-3

2′-amino-[1,1′:3′,1”-terphenyl]-4,4”-dicarboxylic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250210 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: LINA913911
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2480282-83-3 / 4-[2-amino-3-(4-carboxyphenyl)phenyl]benzoic acid

Standard CAS: 2480282-83-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2480282-83-3
Multi CAS
No
Molecular Formula
C20H15NO4
Molecular Weight
333.300000
Exact Mass
333.100108
InChI
InChI=1S/C20H15NO4/c21-18-16(12-4-8-14(9-5-12)19(22)23)2-1-3-17(18)13-6-10-15(11-7-13)20(24)25/h1-11H,21H2,(H,22,23)(H,24,25)
InChIKey
XQEPASCLPCAGTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
95.65
TPSA
100.62

LogP / Solubility

WLOGP
4
MLOGP
3.54
XLogP3
3.5
Consensus LogP
3.68
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly 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)
-1.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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