3,3'-Disulfanediyldibenzoic acid
TL;DR: 3,3'-Disulfanediyldibenzoic acid (CAS 12340-04-4) is a chemical compound with molecular formula C14H10O4S2 and molecular weight 306.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-carboxyphenyl)disulfanyl]benzoic acid
Also Known As: 3,3'-disulfanediyldibenzoic acid, 3,3'-Dithiobisbenzoic acid, benzoic acid, 3,3'-dithiobis-, 2,5-Dihydroxypyridine, 3-[(3-carboxyphenyl)disulfanyl]benzoic acid
| Molecular Formula | C14H10O4S2 |
|---|---|
| Molecular Weight | 306.00 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.00204 |
| Heavy Atoms | 20 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 12340-04-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SSC2=CC=CC(=C2)C(=O)O)C(=O)O |
| InChIKey | GFUOAUHUTVPUIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Disulfanediyldibenzoic acid (CAS 12340-04-4), with molecular formula C14H10O4S2 and molecular weight 306.00 g/mol. IUPAC: 3-[(3-carboxyphenyl)disulfanyl]benzoic acid.
Chemical Property Profile of 3,3'-Disulfanediyldibenzoic acid
Property Insights of 3,3'-Disulfanediyldibenzoic acid
The XLogP value of 3.1 indicates that 3,3'-Disulfanediyldibenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Disulfanediyldibenzoic acid. Following Lipinski's Rule of Five, 3,3'-Disulfanediyldibenzoic 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 3,3'-Disulfanediyldibenzoic acid?
The CAS number of 3,3'-Disulfanediyldibenzoic acid is 12340-04-4.
What is the molecular formula of 3,3'-Disulfanediyldibenzoic acid?
The molecular formula of 3,3'-Disulfanediyldibenzoic acid is C14H10O4S2.
What is the molecular weight of 3,3'-Disulfanediyldibenzoic acid?
The molecular weight of 3,3'-Disulfanediyldibenzoic acid is 306.00 g/mol.
Where can I buy 3,3'-Disulfanediyldibenzoic acid?
You can request a quote for 3,3'-Disulfanediyldibenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Disulfanediyldibenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Disulfanediyldibenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.