1-Phenyl-4-(phenylsulfanyl)butan-1-one
TL;DR: 1-Phenyl-4-(phenylsulfanyl)butan-1-one (CAS 82755-72-4) is a chemical compound with molecular formula C16H16OS and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-4-phenylsulfanylbutan-1-one
Also Known As: gamma-(Phenylthio)butyrophenone, 1-phenyl-4-phenylsulfanylbutan-1-one, 1-Phenyl-4-phenylthiobutane-1-one, 1-phenyl-4-(phenylsulfanyl)butan-1-one, J1.444.845D
| Molecular Formula | C16H16OS |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.0922 |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 82755-72-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CCCSC2=CC=CC=C2 |
| InChIKey | DVPURJJSFFNICF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-4-(phenylsulfanyl)butan-1-one (CAS 82755-72-4), with molecular formula C16H16OS and molecular weight 256.09 g/mol. IUPAC: 1-phenyl-4-phenylsulfanylbutan-1-one.
Chemical Property Profile of 1-Phenyl-4-(phenylsulfanyl)butan-1-one
Property Insights of 1-Phenyl-4-(phenylsulfanyl)butan-1-one
The XLogP value of 4.1 indicates that 1-Phenyl-4-(phenylsulfanyl)butan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 1-Phenyl-4-(phenylsulfanyl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-4-(phenylsulfanyl)butan-1-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 1-Phenyl-4-(phenylsulfanyl)butan-1-one?
The CAS number of 1-Phenyl-4-(phenylsulfanyl)butan-1-one is 82755-72-4.
What is the molecular formula of 1-Phenyl-4-(phenylsulfanyl)butan-1-one?
The molecular formula of 1-Phenyl-4-(phenylsulfanyl)butan-1-one is C16H16OS.
What is the molecular weight of 1-Phenyl-4-(phenylsulfanyl)butan-1-one?
The molecular weight of 1-Phenyl-4-(phenylsulfanyl)butan-1-one is 256.09 g/mol.
Where can I buy 1-Phenyl-4-(phenylsulfanyl)butan-1-one?
You can request a quote for 1-Phenyl-4-(phenylsulfanyl)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-4-(phenylsulfanyl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-4-(phenylsulfanyl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.