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CAS 1415258-35-3 4′-(4-carboxyphenyl)-3,2′:6′,3″-terpyridine molecular structure lightbox
CAS RN: 1415258-35-3

4′-(4-carboxyphenyl)-3,2′:6′,3″-terpyridine

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4 package records0 with current stock2 grade groups
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Batchno.20260612 100mg Out of stock Inquiry
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Batchno.20250404 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1415258-35-3
  • Purity/Analytical Methods: >99.0%
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1415258-35-3 / 4-(2,6-dipyridin-3-yl-4-pyridinyl)benzoic acid

Standard CAS: 1415258-35-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1415258-35-3
Multi CAS
No
Molecular Formula
C22H15N3O2
Molecular Weight
353.400000
Exact Mass
353.116427
SMILES
C1=CC(=CN=C1)C2=CC(=CC(=N2)C3=CN=CC=C3)C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C22H15N3O2/c26-22(27)16-7-5-15(6-8-16)19-11-20(17-3-1-9-23-13-17)25-21(12-19)18-4-2-10-24-14-18/h1-14H,(H,26,27)
InChIKey
OIFUNGVYMIXSFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
103.09
TPSA
75.97

LogP / Solubility

WLOGP
4.57
MLOGP
4.04
XLogP3
3.2
Consensus LogP
3.94
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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