4-Hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate
TL;DR: 4-Hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate (CAS 142609-63-0) is a chemical compound with molecular formula C10H17O4S2- and molecular weight 265.05682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate
Also Known As: Mn-Hdms, Monohexyl 2,3-dimercaptosuccinate, Mono-n-hexyl 2,3-dimercaptosuccinate, 4-hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate, (R*,S*)-Monohexyl 2,3-dimercaptobutanedioate
Technical Specifications
| Molecular Formula | C10H17O4S2- |
| Molecular Weight | 265.05682 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 68.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 265.05682 Da |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
| SMILES | CCCCCCOC(=O)C(C(C(=O)[O-])S)S |
| InChIKey | PPPNQCNJIQPNOZ-UHFFFAOYSA-M |
Chemical Property Profile of 4-Hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate
Property Insights of 4-Hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate
The XLogP value of 3.4 indicates that 4-Hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate. Following Lipinski's Rule of Five, 4-Hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate 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
What is the CAS number of 4-Hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate?
The CAS number of 4-Hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate is 142609-63-0.
What is the molecular formula of 4-Hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate?
The molecular formula of 4-Hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate is C10H17O4S2-.
What is the molecular weight of 4-Hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate?
The molecular weight of 4-Hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate is 265.05682 g/mol.
Where can I buy 4-Hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate?
You can request a quote for 4-Hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate?
Yes, CoreyChem provides custom synthesis services for 4-Hexoxy-4-oxo-2,3-bis(sulfanyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.