2,5-Dimercaptohexanedioic acid
TL;DR: 2,5-Dimercaptohexanedioic acid (CAS 5139-01-5) is a chemical compound with molecular formula C6H10O4S2 and molecular weight 210.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(sulfanyl)hexanedioic acid
Also Known As: 2,5-Dimercaptohexanedioic acid, 2,5-Dimercaptoadipic acid, alpha,alpha'-Dimercaptoadipate, 2,5-dimercapto-adipic acid, Adipic acid, 2,5-dimercapto-
| Molecular Formula | C6H10O4S2 |
|---|---|
| Molecular Weight | 210.00 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.00204 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 5139-01-5 |
|---|---|
| SMILES | C(CC(C(=O)O)S)C(C(=O)O)S |
| InChIKey | SUVZGLSQFGNBQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimercaptohexanedioic acid (CAS 5139-01-5), with molecular formula C6H10O4S2 and molecular weight 210.00 g/mol. IUPAC: 2,5-bis(sulfanyl)hexanedioic acid.
Chemical Property Profile of 2,5-Dimercaptohexanedioic acid
Property Insights of 2,5-Dimercaptohexanedioic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimercaptohexanedioic acid. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dimercaptohexanedioic acid. Following Lipinski's Rule of Five, 2,5-Dimercaptohexanedioic acid has 4 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 2,5-Dimercaptohexanedioic acid?
The CAS number of 2,5-Dimercaptohexanedioic acid is 5139-01-5.
What is the molecular formula of 2,5-Dimercaptohexanedioic acid?
The molecular formula of 2,5-Dimercaptohexanedioic acid is C6H10O4S2.
What is the molecular weight of 2,5-Dimercaptohexanedioic acid?
The molecular weight of 2,5-Dimercaptohexanedioic acid is 210.00 g/mol.
Where can I buy 2,5-Dimercaptohexanedioic acid?
You can request a quote for 2,5-Dimercaptohexanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimercaptohexanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimercaptohexanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.