4-(Ethylsulfanyl)-4-phenylbutan-2-one
TL;DR: 4-(Ethylsulfanyl)-4-phenylbutan-2-one (CAS 74896-58-5) is a chemical compound with molecular formula C12H16OS and molecular weight 208.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethylsulfanyl-4-phenylbutan-2-one
Also Known As: 4-ethylsulfanyl-4-phenylbutan-2-one, 4-ethylsulfanyl-4-phenyl-butan-2-one, 4-(Ethylsulfanyl)-4-phenylbutan-2-one, 4-(Ethylthio)-4-phenyl-2-butanone, J2.149.902A
| Molecular Formula | C12H16OS |
|---|---|
| Molecular Weight | 208.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.0922 |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 74896-58-5 |
|---|---|
| SMILES | CCSC(CC(=O)C)C1=CC=CC=C1 |
| InChIKey | IKTUISBBLUYVCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Ethylsulfanyl)-4-phenylbutan-2-one (CAS 74896-58-5), with molecular formula C12H16OS and molecular weight 208.09 g/mol. IUPAC: 4-ethylsulfanyl-4-phenylbutan-2-one.
Chemical Property Profile of 4-(Ethylsulfanyl)-4-phenylbutan-2-one
Property Insights of 4-(Ethylsulfanyl)-4-phenylbutan-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Ethylsulfanyl)-4-phenylbutan-2-one. With a topological polar surface area (TPSA) of 42.4 Ų, 4-(Ethylsulfanyl)-4-phenylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Ethylsulfanyl)-4-phenylbutan-2-one has 0 hydrogen bond donor(s) and 2 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 4-(Ethylsulfanyl)-4-phenylbutan-2-one?
The CAS number of 4-(Ethylsulfanyl)-4-phenylbutan-2-one is 74896-58-5.
What is the molecular formula of 4-(Ethylsulfanyl)-4-phenylbutan-2-one?
The molecular formula of 4-(Ethylsulfanyl)-4-phenylbutan-2-one is C12H16OS.
What is the molecular weight of 4-(Ethylsulfanyl)-4-phenylbutan-2-one?
The molecular weight of 4-(Ethylsulfanyl)-4-phenylbutan-2-one is 208.09 g/mol.
Where can I buy 4-(Ethylsulfanyl)-4-phenylbutan-2-one?
You can request a quote for 4-(Ethylsulfanyl)-4-phenylbutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Ethylsulfanyl)-4-phenylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Ethylsulfanyl)-4-phenylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.