1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
TL;DR: 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- (CAS 68697-66-5) is a chemical compound with molecular formula C14H22OS and molecular weight 238.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-1-one
Also Known As: 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, 3-methylsulfanyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-1-one, 3-(METHYLSULFANYL)-1-(2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIEN-1-YL)BUTAN-1-ONE, 3-(METHYLTHIO)-1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-1-BUTANONE, RefChem:430922
| Molecular Formula | C14H22OS |
|---|---|
| Molecular Weight | 238.14 g/mol |
| LogP | 3.9997 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.13913 |
| Heavy Atoms | 16 |
| Complexity | 336.6445 |
Chemical Identifiers
| CAS Number | 68697-66-5 |
|---|---|
| SMILES | CC1=C(C(CC=C1)(C)C)C(=O)CC(C)SC |
Product Overview
1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- (CAS 68697-66-5), with molecular formula C14H22OS and molecular weight 238.14 g/mol. IUPAC: 3-methylsulfanyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-1-one.
Chemical Property Profile of 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
Property Insights of 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
The XLogP value of 3.9997 indicates that 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- 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-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-?
The CAS number of 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- is 68697-66-5.
What is the molecular formula of 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-?
The molecular formula of 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- is C14H22OS.
What is the molecular weight of 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-?
The molecular weight of 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- is 238.14 g/mol.
Where can I buy 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-?
You can request a quote for 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.