4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid
TL;DR: 4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid (CAS 55709-46-1) is a chemical compound with molecular formula C20H14O8S2 and molecular weight 446.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-carboxyphenyl)sulfonylphenyl]sulfonylbenzoic acid
Also Known As: 4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid, 4-[4-(4-carboxyphenyl)sulfonylphenyl]sulfonylbenzoic Acid, 4-({4-[(4-CARBOXYPHENYL)SULFONYL]PHENYL}SULFONYL)BENZOIC ACID
| Molecular Formula | C20H14O8S2 |
|---|---|
| Molecular Weight | 446.01 g/mol |
| LogP | 2.7486 |
| Topological Polar Surface Area | 142.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.013 |
| Heavy Atoms | 30 |
| Complexity | 1214.9252 |
Chemical Identifiers
| CAS Number | 55709-46-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O |
Product Overview
4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid (CAS 55709-46-1), with molecular formula C20H14O8S2 and molecular weight 446.01 g/mol. IUPAC: 4-[4-(4-carboxyphenyl)sulfonylphenyl]sulfonylbenzoic acid.
Chemical Property Profile of 4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid
Property Insights of 4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid
The XLogP value of 2.7486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid. The TPSA of 142.88 Ų indicates high polarity, suggesting 4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid?
The CAS number of 4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid is 55709-46-1.
What is the molecular formula of 4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid?
The molecular formula of 4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid is C20H14O8S2.
What is the molecular weight of 4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid?
The molecular weight of 4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid is 446.01 g/mol.
Where can I buy 4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid?
You can request a quote for 4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(1,4-Phenylenedisulfonyl)dibenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.