2,3-Bis(sulfanyl)propyl butanoate
TL;DR: 2,3-Bis(sulfanyl)propyl butanoate (CAS 99848-14-3) is a chemical compound with molecular formula C7H14O2S2 and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(sulfanyl)propyl butanoate
Also Known As: Disulfanyl deriv., 2,3-bis(sulfanyl)propyl butanoate, 2,3-Disulfanylpropyl butanoate, 2,3-Dimercapto-1-propanol 1-butyrate, 1-Propanol, 2,3-dimercapto-, 1-butyrate
| Molecular Formula | C7H14O2S2 |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 28.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.04352 |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 99848-14-3 |
|---|---|
| SMILES | CCCC(=O)OCC(CS)S |
| InChIKey | DJEMELITJSDQEV-UHFFFAOYSA-N |
Product Overview
2,3-Bis(sulfanyl)propyl butanoate (CAS 99848-14-3), with molecular formula C7H14O2S2 and molecular weight 194.04 g/mol. IUPAC: 2,3-bis(sulfanyl)propyl butanoate.
Chemical Property Profile of 2,3-Bis(sulfanyl)propyl butanoate
Property Insights of 2,3-Bis(sulfanyl)propyl butanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Bis(sulfanyl)propyl butanoate. With a topological polar surface area (TPSA) of 28.3 Ų, 2,3-Bis(sulfanyl)propyl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Bis(sulfanyl)propyl butanoate has 2 hydrogen bond donor(s) and 4 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 2,3-Bis(sulfanyl)propyl butanoate?
The CAS number of 2,3-Bis(sulfanyl)propyl butanoate is 99848-14-3.
What is the molecular formula of 2,3-Bis(sulfanyl)propyl butanoate?
The molecular formula of 2,3-Bis(sulfanyl)propyl butanoate is C7H14O2S2.
What is the molecular weight of 2,3-Bis(sulfanyl)propyl butanoate?
The molecular weight of 2,3-Bis(sulfanyl)propyl butanoate is 194.04 g/mol.
Where can I buy 2,3-Bis(sulfanyl)propyl butanoate?
You can request a quote for 2,3-Bis(sulfanyl)propyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Bis(sulfanyl)propyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Bis(sulfanyl)propyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.