![CAS 59795-47-0 [1,1′-Biphenyl]-2,2′,5,5′-tetracarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59795-47-0.gif)
CAS RN: 59795-47-0
[1,1′-Biphenyl]-2,2′,5,5′-tetracarboxylic acid
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS59795-47-0
- Purity/Analytical Methods: >99.0%
59795-47-0 / 2-(2,5-dicarboxyphenyl)terephthalic acid
Basic Information
CAS
59795-47-0
Multi CAS
No
Molecular Formula
C16H10O8
Molecular Weight
330.240000
Exact Mass
330.037567
InChI
InChI=1S/C16H10O8/c17-13(18)7-1-3-9(15(21)22)11(5-7)12-6-8(14(19)20)2-4-10(12)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey
BPFVHHLYBQRNKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
79.72
TPSA
149.2
LogP / Solubility
WLOGP
2.15
MLOGP
1.9
XLogP3
1.7
Consensus LogP
1.92
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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METHYL 2-METHYL-4-HYDROXY-2H-THIENO[2,3-E]-1,2-THIAZINE-3-CARBOXYLATE-1,1-DIOXIDE
- CAS RN: 59804-25-0
- Product Code: SSC-168377
![CAS 59804-25-0 METHYL 2-METHYL-4-HYDROXY-2H-THIENO[2,3-E]-1,2-THIAZINE-3-CARBOXYLATE-1,1-DIOXIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59804-25-0.gif)