![CAS 677010-20-7 [1,1′-Biphenyl]-3,4′,5-tricarboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5795-jpgcontextbwfzdgvyfhjvb3r8mzeymdf8aw1hz2uvanblz3xomgyvadfjlzg5mjkymtc3nda4mzavqju3otuuanbnfdkwnjriote3yzezm2u4mdkwmzg5mjmzmgziytmynzq1ndm0ytk5odayyzywywzhnzg2ntdmntbjnwzjztawmwu.jpeg)
CAS RN: 677010-20-7
[1,1′-Biphenyl]-3,4′,5-tricarboxylic Acid
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250526 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
- Product code: ICTB5795
- Purity/Analytical Methods: >98.0%(GC)(T)
677010-20-7 / 5-(4-carboxyphenyl)benzene-1,3-dicarboxylic acid
Basic Information
CAS
677010-20-7
Multi CAS
No
Molecular Formula
C15H10O6
Molecular Weight
286.240000
Exact Mass
286.047738
InChI
InChI=1S/C15H10O6/c16-13(17)9-3-1-8(2-4-9)10-5-11(14(18)19)7-12(6-10)15(20)21/h1-7H,(H,16,17)(H,18,19)(H,20,21)
InChIKey
LQEZHWGJSWHXPJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
72.76
TPSA
111.9
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
2.1
Consensus LogP
2.24
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
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
No
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 22803-05-0 [1,1′-Biphenyl]-3,3′,4,4′-tetracarboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b6179-jpgcontextbwfzdgvyfhjvb3r8mtgwmzf8aw1hz2uvanblz3xonjkvadfllzkxmzgwmdq0mjy3odivqjyxnzkuanbnfdgznmq4mwnhyzq2mjlhyzg2zjkzzgvmztiyytkwmtq5ytk4ztbmzddmmjlln2qymdjlzgqxnzmymtbmmdc4mtu.jpeg)
