2-Hydroxycyclohexyl 4-methylbenzenesulfonate
TL;DR: 2-Hydroxycyclohexyl 4-methylbenzenesulfonate (CAS 15051-90-8) is a chemical compound with molecular formula C13H18O4S and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxycyclohexyl) 4-methylbenzenesulfonate
Also Known As: 2-Hydroxycyclohexyl 4-methylbenzenesulfonate, 2-Hydroxycyclohexyl p-toluenesulfonate, TRANS-2-HYDROXYCYCLOHEXYLP-TOLUENESULFONATE, (2-hydroxycyclohexyl) 4-methylbenzenesulfonate, 1,2-Cyclohexanediol,?1-(4-methylbenzenesulfonate)
| Molecular Formula | C13H18O4S |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0926 |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 15051-90-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2O |
| InChIKey | BIZMDVFWYSXYEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxycyclohexyl 4-methylbenzenesulfonate (CAS 15051-90-8), with molecular formula C13H18O4S and molecular weight 270.09 g/mol. IUPAC: (2-hydroxycyclohexyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 2-Hydroxycyclohexyl 4-methylbenzenesulfonate
Property Insights of 2-Hydroxycyclohexyl 4-methylbenzenesulfonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxycyclohexyl 4-methylbenzenesulfonate. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxycyclohexyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-Hydroxycyclohexyl 4-methylbenzenesulfonate 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-Hydroxycyclohexyl 4-methylbenzenesulfonate?
The CAS number of 2-Hydroxycyclohexyl 4-methylbenzenesulfonate is 15051-90-8.
What is the molecular formula of 2-Hydroxycyclohexyl 4-methylbenzenesulfonate?
The molecular formula of 2-Hydroxycyclohexyl 4-methylbenzenesulfonate is C13H18O4S.
What is the molecular weight of 2-Hydroxycyclohexyl 4-methylbenzenesulfonate?
The molecular weight of 2-Hydroxycyclohexyl 4-methylbenzenesulfonate is 270.09 g/mol.
Where can I buy 2-Hydroxycyclohexyl 4-methylbenzenesulfonate?
You can request a quote for 2-Hydroxycyclohexyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxycyclohexyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxycyclohexyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.