1-Ethylsulfanyl-4-methyl-1-phenyloctan-3-one
TL;DR: 1-Ethylsulfanyl-4-methyl-1-phenyloctan-3-one (CAS 77921-33-6) is a chemical compound with molecular formula C17H26OS and molecular weight 278.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylsulfanyl-4-methyl-1-phenyloctan-3-one
Also Known As: 1-ethylsulfanyl-4-methyl-1-phenyloctan-3-one, 3-Octanone,1-(ethylthio)-4-methyl-1-phenyl-, 1-(ETHYLSULFANYL)-4-METHYL-1-PHENYLOCTAN-3-ONE
| Molecular Formula | C17H26OS |
|---|---|
| Molecular Weight | 278.17 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 278.17044 |
| Heavy Atoms | 19 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 77921-33-6 |
|---|---|
| SMILES | CCCCC(C)C(=O)CC(C1=CC=CC=C1)SCC |
| InChIKey | NXDXTCXOKJTATK-UHFFFAOYSA-N |
Product Overview
1-Ethylsulfanyl-4-methyl-1-phenyloctan-3-one (CAS 77921-33-6), with molecular formula C17H26OS and molecular weight 278.17 g/mol. IUPAC: 1-ethylsulfanyl-4-methyl-1-phenyloctan-3-one.
Chemical Property Profile of 1-Ethylsulfanyl-4-methyl-1-phenyloctan-3-one
Property Insights of 1-Ethylsulfanyl-4-methyl-1-phenyloctan-3-one
The XLogP value of 4.9 indicates that 1-Ethylsulfanyl-4-methyl-1-phenyloctan-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, 1-Ethylsulfanyl-4-methyl-1-phenyloctan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethylsulfanyl-4-methyl-1-phenyloctan-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 1-Ethylsulfanyl-4-methyl-1-phenyloctan-3-one?
The CAS number of 1-Ethylsulfanyl-4-methyl-1-phenyloctan-3-one is 77921-33-6.
What is the molecular formula of 1-Ethylsulfanyl-4-methyl-1-phenyloctan-3-one?
The molecular formula of 1-Ethylsulfanyl-4-methyl-1-phenyloctan-3-one is C17H26OS.
What is the molecular weight of 1-Ethylsulfanyl-4-methyl-1-phenyloctan-3-one?
The molecular weight of 1-Ethylsulfanyl-4-methyl-1-phenyloctan-3-one is 278.17 g/mol.
Where can I buy 1-Ethylsulfanyl-4-methyl-1-phenyloctan-3-one?
You can request a quote for 1-Ethylsulfanyl-4-methyl-1-phenyloctan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethylsulfanyl-4-methyl-1-phenyloctan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethylsulfanyl-4-methyl-1-phenyloctan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.