2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one
TL;DR: 2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one (CAS 174842-59-2) is a chemical compound with molecular formula C14H22O2S and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one
Also Known As: CHEMBRDG-BB 5220116, 2-butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one, BIM-0016320.P001, AB00075722-01, 2-BUTYRYL-3-(ETHYLTHIO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE
| Molecular Formula | C14H22O2S |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 3.7519 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.13405 |
| Heavy Atoms | 17 |
| Complexity | 353.2337 |
Chemical Identifiers
| CAS Number | 174842-59-2 |
|---|---|
| SMILES | CCCC(=O)C1=C(CC(CC1=O)(C)C)SCC |
Product Overview
2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one (CAS 174842-59-2), with molecular formula C14H22O2S and molecular weight 254.13 g/mol. IUPAC: 2-butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one
Property Insights of 2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one
The XLogP value of 3.7519 indicates that 2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one has 0 hydrogen bond donor(s) and 3 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 2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one?
The CAS number of 2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one is 174842-59-2.
What is the molecular formula of 2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one?
The molecular formula of 2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one is C14H22O2S.
What is the molecular weight of 2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one?
The molecular weight of 2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one is 254.13 g/mol.
Where can I buy 2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one?
You can request a quote for 2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.