2-Furfuryl 2-oxo-3-butyl disulfide
TL;DR: 2-Furfuryl 2-oxo-3-butyl disulfide (CAS 159113-17-4) is a chemical compound with molecular formula C9H12O2S2 and molecular weight 216.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-ylmethyldisulfanyl)butan-2-one
Also Known As: 2-furfuryl 2-oxo-3-butyl disulfide, 2-furfuryl 3-oxo-2-butyl disulfide, 3-((furan-2-ylmethyl)disulfanyl)butan-2-one, 3-[(2-Furylmethyl)dithio]-2-butanone, 3-(furan-2-ylmethyldisulfanyl)butan-2-one
| Molecular Formula | C9H12O2S2 |
|---|---|
| Molecular Weight | 216.03 g/mol |
| LogP | 3.1385 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 216.02788 |
| Heavy Atoms | 13 |
| Complexity | 256.58823 |
Chemical Identifiers
| CAS Number | 159113-17-4 |
|---|---|
| SMILES | CC(C(=O)C)SSCC1=CC=CO1 |
Product Overview
2-Furfuryl 2-oxo-3-butyl disulfide (CAS 159113-17-4), with molecular formula C9H12O2S2 and molecular weight 216.03 g/mol. IUPAC: 3-(furan-2-ylmethyldisulfanyl)butan-2-one.
Chemical Property Profile of 2-Furfuryl 2-oxo-3-butyl disulfide
Property Insights of 2-Furfuryl 2-oxo-3-butyl disulfide
The XLogP value of 3.1385 indicates that 2-Furfuryl 2-oxo-3-butyl disulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 2-Furfuryl 2-oxo-3-butyl disulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Furfuryl 2-oxo-3-butyl disulfide has 0 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-Furfuryl 2-oxo-3-butyl disulfide?
The CAS number of 2-Furfuryl 2-oxo-3-butyl disulfide is 159113-17-4.
What is the molecular formula of 2-Furfuryl 2-oxo-3-butyl disulfide?
The molecular formula of 2-Furfuryl 2-oxo-3-butyl disulfide is C9H12O2S2.
What is the molecular weight of 2-Furfuryl 2-oxo-3-butyl disulfide?
The molecular weight of 2-Furfuryl 2-oxo-3-butyl disulfide is 216.03 g/mol.
Where can I buy 2-Furfuryl 2-oxo-3-butyl disulfide?
You can request a quote for 2-Furfuryl 2-oxo-3-butyl disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Furfuryl 2-oxo-3-butyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-Furfuryl 2-oxo-3-butyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.