![2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate structure](/static/products/3390/339098-54-3.webp)
2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate
TL;DR: 2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate (CAS 339098-54-3) is a chemical compound with molecular formula C23H24O5S and molecular weight 412.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzenesulfonylmethyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 4-methylbenzoate
Also Known As: 2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate, 8H-906, [2-(benzenesulfonylmethyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 4-methylbenzoate, 5,5-dimethyl-3-oxo-2-[(phenylsulfonyl)methyl]-1-cyclohexenyl 4-methylbenzenecarboxylate, 2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl4-methylbenzoate
| Molecular Formula | C23H24O5S |
|---|---|
| Molecular Weight | 412.13 g/mol |
| LogP | 4.26892 |
| Topological Polar Surface Area | 77.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.13443 |
| Heavy Atoms | 29 |
| Complexity | 1062.0111 |
Chemical Identifiers
| CAS Number | 339098-54-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(C(=O)CC(C2)(C)C)CS(=O)(=O)C3=CC=CC=C3 |
Product Overview
2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate (CAS 339098-54-3), with molecular formula C23H24O5S and molecular weight 412.13 g/mol. IUPAC: [2-(benzenesulfonylmethyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 4-methylbenzoate.
Chemical Property Profile of 2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate
Property Insights of 2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate
The XLogP value of 4.26892 indicates that 2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate. Following Lipinski's Rule of Five, 2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate has 0 hydrogen bond donor(s) and 5 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-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate?
The CAS number of 2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate is 339098-54-3.
What is the molecular formula of 2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate?
The molecular formula of 2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate is C23H24O5S.
What is the molecular weight of 2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate?
The molecular weight of 2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate is 412.13 g/mol.
Where can I buy 2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate?
You can request a quote for 2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(benzenesulfonyl)methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.