![2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol structure](/static/products/496/496054-59-2.png)
2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol
TL;DR: 2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol (CAS 496054-59-2) is a chemical compound with molecular formula C17H26O4S and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methoxyphenyl)methylsulfonyl]-3,5,5-trimethylcyclohexan-1-ol
Also Known As: 2-[(3-methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol, AO-801/41077313, 2-[(3-methoxyphenyl)methylsulfonyl]-3,5,5-trimethylcyclohexan-1-ol
| Molecular Formula | C17H26O4S |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | 2.7956 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.15518 |
| Heavy Atoms | 22 |
| Complexity | 607.301 |
Chemical Identifiers
| CAS Number | 496054-59-2 |
|---|---|
| SMILES | CC1CC(CC(C1S(=O)(=O)CC2=CC(=CC=C2)OC)O)(C)C |
Product Overview
2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol (CAS 496054-59-2), with molecular formula C17H26O4S and molecular weight 326.16 g/mol. IUPAC: 2-[(3-methoxyphenyl)methylsulfonyl]-3,5,5-trimethylcyclohexan-1-ol.
Chemical Property Profile of 2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol
Property Insights of 2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol
The XLogP value of 2.7956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol. Following Lipinski's Rule of Five, 2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol has 1 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 2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol?
The CAS number of 2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol is 496054-59-2.
What is the molecular formula of 2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol?
The molecular formula of 2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol is C17H26O4S.
What is the molecular weight of 2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol?
The molecular weight of 2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol is 326.16 g/mol.
Where can I buy 2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol?
You can request a quote for 2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Methoxybenzyl)sulfonyl]-3,5,5-trimethylcyclohexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.