6,6'-Dithiodinicotinic acid
TL;DR: 6,6'-Dithiodinicotinic acid (CAS 15658-35-2) is a chemical compound with molecular formula C12H8N2O4S2 and molecular weight 307.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5-carboxy-2-pyridinyl)disulfanyl]pyridine-3-carboxylic acid
Also Known As: 6,6'-Dithiodinicotinic acid, CPDS, Carboxypyridine disulfide, 6,6'-Disulfanediyldinicotinic acid, 6,6'-Dithionicotinic acid
| Molecular Formula | C12H8N2O4S2 |
|---|---|
| Molecular Weight | 307.99 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.99255 |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 15658-35-2 |
|---|---|
| SMILES | C1=CC(=NC=C1C(=O)O)SSC2=NC=C(C=C2)C(=O)O |
| InChIKey | GSASOFRDSIKDSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,6'-Dithiodinicotinic acid (CAS 15658-35-2), with molecular formula C12H8N2O4S2 and molecular weight 307.99 g/mol. IUPAC: 6-[(5-carboxy-2-pyridinyl)disulfanyl]pyridine-3-carboxylic acid.
Chemical Property Profile of 6,6'-Dithiodinicotinic acid
Property Insights of 6,6'-Dithiodinicotinic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6'-Dithiodinicotinic acid. The TPSA of 151.0 Ų indicates high polarity, suggesting 6,6'-Dithiodinicotinic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6,6'-Dithiodinicotinic acid has 2 hydrogen bond donor(s) and 8 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 6,6'-Dithiodinicotinic acid?
The CAS number of 6,6'-Dithiodinicotinic acid is 15658-35-2.
What is the molecular formula of 6,6'-Dithiodinicotinic acid?
The molecular formula of 6,6'-Dithiodinicotinic acid is C12H8N2O4S2.
What is the molecular weight of 6,6'-Dithiodinicotinic acid?
The molecular weight of 6,6'-Dithiodinicotinic acid is 307.99 g/mol.
Where can I buy 6,6'-Dithiodinicotinic acid?
You can request a quote for 6,6'-Dithiodinicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6'-Dithiodinicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 6,6'-Dithiodinicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.