![3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde structure](/static/products/810/81054-00-4.png)
3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde
TL;DR: 3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde (CAS 81054-00-4) is a chemical compound with molecular formula C16H20O2S and molecular weight 276.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfinylmethyl)-3,3-dimethylcyclohexene-1-carbaldehyde
Also Known As: 3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde, 2-(benzenesulfinylmethyl)-3,3-dimethylcyclohexene-1-carbaldehyde, Cyclohexene, 1-formyl-2-phenylsulfinylmethyl-3,3-dimethyl-, 3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde #
| Molecular Formula | C16H20O2S |
|---|---|
| Molecular Weight | 276.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.1184 |
| Heavy Atoms | 19 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 81054-00-4 |
|---|---|
| SMILES | CC1(CCCC(=C1CS(=O)C2=CC=CC=C2)C=O)C |
| InChIKey | HTQMNBWKNDWVIY-UHFFFAOYSA-N |
Product Overview
3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde (CAS 81054-00-4), with molecular formula C16H20O2S and molecular weight 276.12 g/mol. IUPAC: 2-(benzenesulfinylmethyl)-3,3-dimethylcyclohexene-1-carbaldehyde.
Chemical Property Profile of 3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde
Property Insights of 3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde. With a topological polar surface area (TPSA) of 53.4 Ų, 3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde 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 3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde?
The CAS number of 3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde is 81054-00-4.
What is the molecular formula of 3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde?
The molecular formula of 3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde is C16H20O2S.
What is the molecular weight of 3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde?
The molecular weight of 3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde is 276.12 g/mol.
Where can I buy 3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde?
You can request a quote for 3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-2-[(phenylsulfinyl)methyl]-1-cyclohexene-1-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.