5-tert-Butyl-3-(phenylthio)-2(5H)-furanone
TL;DR: 5-tert-Butyl-3-(phenylthio)-2(5H)-furanone (CAS 127459-06-7) is a chemical compound with molecular formula C14H16O2S and molecular weight 248.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-phenylsulfanyl-2H-furan-5-one
Also Known As: 5-tert-Butyl-3-(phenylthio)-2(5H)-furanone, 2-tert-butyl-4-phenylsulfanyl-2H-furan-5-one, 5-tert-butyl-3-(phenylsulfanyl)-2(5H)-furanone, NCI60_013946, AP-782/41885282
| Molecular Formula | C14H16O2S |
|---|---|
| Molecular Weight | 248.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.0871 |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 127459-06-7 |
|---|---|
| SMILES | CC(C)(C)C1C=C(C(=O)O1)SC2=CC=CC=C2 |
| InChIKey | VMWPFAJHZPXAMW-UHFFFAOYSA-N |
Product Overview
5-tert-Butyl-3-(phenylthio)-2(5H)-furanone (CAS 127459-06-7), with molecular formula C14H16O2S and molecular weight 248.09 g/mol. IUPAC: 2-tert-butyl-4-phenylsulfanyl-2H-furan-5-one.
Chemical Property Profile of 5-tert-Butyl-3-(phenylthio)-2(5H)-furanone
Property Insights of 5-tert-Butyl-3-(phenylthio)-2(5H)-furanone
The XLogP value of 4.3 indicates that 5-tert-Butyl-3-(phenylthio)-2(5H)-furanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, 5-tert-Butyl-3-(phenylthio)-2(5H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-tert-Butyl-3-(phenylthio)-2(5H)-furanone has 0 hydrogen bond donor(s) and 3 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 5-tert-Butyl-3-(phenylthio)-2(5H)-furanone?
The CAS number of 5-tert-Butyl-3-(phenylthio)-2(5H)-furanone is 127459-06-7.
What is the molecular formula of 5-tert-Butyl-3-(phenylthio)-2(5H)-furanone?
The molecular formula of 5-tert-Butyl-3-(phenylthio)-2(5H)-furanone is C14H16O2S.
What is the molecular weight of 5-tert-Butyl-3-(phenylthio)-2(5H)-furanone?
The molecular weight of 5-tert-Butyl-3-(phenylthio)-2(5H)-furanone is 248.09 g/mol.
Where can I buy 5-tert-Butyl-3-(phenylthio)-2(5H)-furanone?
You can request a quote for 5-tert-Butyl-3-(phenylthio)-2(5H)-furanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-tert-Butyl-3-(phenylthio)-2(5H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-Butyl-3-(phenylthio)-2(5H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.