5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate
TL;DR: 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate (CAS 93157-15-4) is a chemical compound with molecular formula C16H24O3S and molecular weight 296.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylcyclohexyl) benzenesulfonate
Also Known As: Benzolsulfonsaeure-menthylester, 5-methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate, (5-methyl-2-propan-2-ylcyclohexyl) benzenesulfonate, Cyclohexanol,5-methyl-2-(1-methylethyl)-, 1-benzenesulfonate
| Molecular Formula | C16H24O3S |
|---|---|
| Molecular Weight | 296.14 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.14462 |
| Heavy Atoms | 20 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 93157-15-4 |
|---|---|
| SMILES | CC1CCC(C(C1)OS(=O)(=O)C2=CC=CC=C2)C(C)C |
| InChIKey | JKHRVEWNCCTSDN-UHFFFAOYSA-N |
Product Overview
5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate (CAS 93157-15-4), with molecular formula C16H24O3S and molecular weight 296.14 g/mol. IUPAC: (5-methyl-2-propan-2-ylcyclohexyl) benzenesulfonate.
Chemical Property Profile of 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate
Property Insights of 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate
The XLogP value of 4.7 indicates that 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate 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 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate?
The CAS number of 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate is 93157-15-4.
What is the molecular formula of 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate?
The molecular formula of 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate is C16H24O3S.
What is the molecular weight of 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate?
The molecular weight of 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate is 296.14 g/mol.
Where can I buy 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate?
You can request a quote for 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(propan-2-yl)cyclohexyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.