(1,3,3-Trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate
TL;DR: (1,3,3-Trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate (CAS 74510-32-0) is a chemical compound with molecular formula C17H24O4S and molecular weight 324.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3,3-trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate
Also Known As: (1,3,3-trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate, 2-oxo-1,3,3-trimethylcyclohexylmethyl p-toluenesulfonate, 2,2,6-trimethyl-6-[(4-methylphenyl)sulfonyloxymethyl]cyclohexan-1-one
| Molecular Formula | C17H24O4S |
|---|---|
| Molecular Weight | 324.14 g/mol |
| LogP | 3.48582 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.13953 |
| Heavy Atoms | 22 |
| Complexity | 658.4043 |
Chemical Identifiers
| CAS Number | 74510-32-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCC(C2=O)(C)C)C |
Product Overview
(1,3,3-Trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate (CAS 74510-32-0), with molecular formula C17H24O4S and molecular weight 324.14 g/mol. IUPAC: (1,3,3-trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate.
Chemical Property Profile of (1,3,3-Trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate
Property Insights of (1,3,3-Trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate
The XLogP value of 3.48582 indicates that (1,3,3-Trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3,3-Trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (1,3,3-Trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 4 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 (1,3,3-Trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate?
The CAS number of (1,3,3-Trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate is 74510-32-0.
What is the molecular formula of (1,3,3-Trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate?
The molecular formula of (1,3,3-Trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate is C17H24O4S.
What is the molecular weight of (1,3,3-Trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate?
The molecular weight of (1,3,3-Trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate is 324.14 g/mol.
Where can I buy (1,3,3-Trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate?
You can request a quote for (1,3,3-Trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3,3-Trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (1,3,3-Trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.