4-Methyl-4-phenylsulfanylhept-6-en-3-one
TL;DR: 4-Methyl-4-phenylsulfanylhept-6-en-3-one (CAS 55834-35-0) is a chemical compound with molecular formula C14H18OS and molecular weight 234.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-4-phenylsulfanylhept-6-en-3-one
Also Known As: 4-methyl-4-phenylsulfanylhept-6-en-3-one, 4-methyl-4-phenylsulfanyl-hept-6-en-3-one, 4-Methyl-4-(phenylsulfanyl)hept-6-en-3-one
| Molecular Formula | C14H18OS |
|---|---|
| Molecular Weight | 234.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.10783 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 55834-35-0 |
|---|---|
| SMILES | CCC(=O)C(C)(CC=C)SC1=CC=CC=C1 |
| InChIKey | VIHZXMGRKAVLFX-UHFFFAOYSA-N |
Product Overview
4-Methyl-4-phenylsulfanylhept-6-en-3-one (CAS 55834-35-0), with molecular formula C14H18OS and molecular weight 234.11 g/mol. IUPAC: 4-methyl-4-phenylsulfanylhept-6-en-3-one.
Chemical Property Profile of 4-Methyl-4-phenylsulfanylhept-6-en-3-one
Property Insights of 4-Methyl-4-phenylsulfanylhept-6-en-3-one
The XLogP value of 4.0 indicates that 4-Methyl-4-phenylsulfanylhept-6-en-3-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, 4-Methyl-4-phenylsulfanylhept-6-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-4-phenylsulfanylhept-6-en-3-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-Methyl-4-phenylsulfanylhept-6-en-3-one?
The CAS number of 4-Methyl-4-phenylsulfanylhept-6-en-3-one is 55834-35-0.
What is the molecular formula of 4-Methyl-4-phenylsulfanylhept-6-en-3-one?
The molecular formula of 4-Methyl-4-phenylsulfanylhept-6-en-3-one is C14H18OS.
What is the molecular weight of 4-Methyl-4-phenylsulfanylhept-6-en-3-one?
The molecular weight of 4-Methyl-4-phenylsulfanylhept-6-en-3-one is 234.11 g/mol.
Where can I buy 4-Methyl-4-phenylsulfanylhept-6-en-3-one?
You can request a quote for 4-Methyl-4-phenylsulfanylhept-6-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-4-phenylsulfanylhept-6-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-4-phenylsulfanylhept-6-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.