1-Phenylthio-4-acetoxy-2-butanone
TL;DR: 1-Phenylthio-4-acetoxy-2-butanone (CAS 75273-64-2) is a chemical compound with molecular formula C12H14O3S and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxo-4-phenylsulfanylbutyl) acetate
Also Known As: 1-Phenylthio-4-acetoxy-2-butanone, 3-Oxo-4-(phenylsulfanyl)butyl acetate, (3-oxo-4-phenylsulfanylbutyl) acetate, 3-Oxo-4-(phenylsulfanyl)butyl acetate #, 4-(Acetyloxy)-1-(phenylthio)-2-butanone
| Molecular Formula | C12H14O3S |
|---|---|
| Molecular Weight | 238.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 238.06636 |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 75273-64-2 |
|---|---|
| SMILES | CC(=O)OCCC(=O)CSC1=CC=CC=C1 |
| InChIKey | OSCXWJFSONCESL-UHFFFAOYSA-N |
Product Overview
1-Phenylthio-4-acetoxy-2-butanone (CAS 75273-64-2), with molecular formula C12H14O3S and molecular weight 238.07 g/mol. IUPAC: (3-oxo-4-phenylsulfanylbutyl) acetate.
Chemical Property Profile of 1-Phenylthio-4-acetoxy-2-butanone
Property Insights of 1-Phenylthio-4-acetoxy-2-butanone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylthio-4-acetoxy-2-butanone. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenylthio-4-acetoxy-2-butanone. Following Lipinski's Rule of Five, 1-Phenylthio-4-acetoxy-2-butanone 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 1-Phenylthio-4-acetoxy-2-butanone?
The CAS number of 1-Phenylthio-4-acetoxy-2-butanone is 75273-64-2.
What is the molecular formula of 1-Phenylthio-4-acetoxy-2-butanone?
The molecular formula of 1-Phenylthio-4-acetoxy-2-butanone is C12H14O3S.
What is the molecular weight of 1-Phenylthio-4-acetoxy-2-butanone?
The molecular weight of 1-Phenylthio-4-acetoxy-2-butanone is 238.07 g/mol.
Where can I buy 1-Phenylthio-4-acetoxy-2-butanone?
You can request a quote for 1-Phenylthio-4-acetoxy-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylthio-4-acetoxy-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylthio-4-acetoxy-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.