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CAS 1623061-09-5 4,4”-dihydroxy-[1,1′:4′,1”-terphenyl]-3,3”-dicarboxylic acid molecular structure lightbox
CAS RN: 1623061-09-5

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

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250216 100mg / 250mg / 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1623061-09-5
  • Purity/Analytical Methods: >99.0%
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1623061-09-5 / 5-[4-(3-carboxy-4-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid

Standard CAS: 1623061-09-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1623061-09-5
Multi CAS
No
Molecular Formula
C20H14O6
Molecular Weight
350.300000
Exact Mass
350.079038
SMILES
C1=CC(=CC=C1C2=CC(=C(C=C2)O)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O
InChI
InChI=1S/C20H14O6/c21-17-7-5-13(9-15(17)19(23)24)11-1-2-12(4-3-11)14-6-8-18(22)16(10-14)20(25)26/h1-10,21-22H,(H,23,24)(H,25,26)
InChIKey
DBLXGWZXBPJXAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
94.56
TPSA
115.06

LogP / Solubility

WLOGP
3.83
MLOGP
3.39
XLogP3
4.6
Consensus LogP
3.94
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.14

Drug-likeness / Medicinal Chemistry

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

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