(2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene
TL;DR: (2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene (CAS 56691-74-8) is a chemical compound with molecular formula C16H22O2S and molecular weight 278.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6,6-trimethylcyclohexen-1-yl)methylsulfonylbenzene
Also Known As: 1-Phenylsulfonylmethyl-2,6,6-trimethylcyclohexene, (2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene, (2,6,6-trimethylcyclohexen-1-yl)methylsulfonylbenzene, 1-(Phenylsulfonylmethyl)-2,6,6-trimethylcyclohexene, (2,6,6-Trimethyl-1-cyclohexenylmethyl)phenyl sulfone
| Molecular Formula | C16H22O2S |
|---|---|
| Molecular Weight | 278.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.13406 |
| Heavy Atoms | 19 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 56691-74-8 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)CS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | WQRHISGXRFLGKQ-UHFFFAOYSA-N |
Product Overview
(2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene (CAS 56691-74-8), with molecular formula C16H22O2S and molecular weight 278.13 g/mol. IUPAC: (2,6,6-trimethylcyclohexen-1-yl)methylsulfonylbenzene.
Chemical Property Profile of (2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene
Property Insights of (2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene
The XLogP value of 3.5 indicates that (2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, (2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene 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 (2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene?
The CAS number of (2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene is 56691-74-8.
What is the molecular formula of (2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene?
The molecular formula of (2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene is C16H22O2S.
What is the molecular weight of (2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene?
The molecular weight of (2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene is 278.13 g/mol.
Where can I buy (2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene?
You can request a quote for (2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.