CAS RN: 13962-92-0
2,5-Diphenylbenzene-1,4-dicarboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250828 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS13962-92-0
- Purity/Analytical Methods: >99.0%
13962-92-0 / 2,5-diphenylterephthalic acid
Basic Information
CAS
13962-92-0
Multi CAS
No
Molecular Formula
C20H14O4
Molecular Weight
318.300000
Exact Mass
318.089209
SMILES
C1=CC=C(C=C1)C2=CC(=C(C=C2C(=O)O)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C20H14O4/c21-19(22)17-12-16(14-9-5-2-6-10-14)18(20(23)24)11-15(17)13-7-3-1-4-8-13/h1-12H,(H,21,22)(H,23,24)
InChIKey
XSLGXTDGDJULAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
91.23
TPSA
74.6
LogP / Solubility
WLOGP
4.42
MLOGP
3.9
XLogP3
4.2
Consensus LogP
4.17
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.53
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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