3-Cyclohexyl-3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate
TL;DR: 3-Cyclohexyl-3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate (CAS 102473-43-8) is a chemical compound with molecular formula C22H28O4S and molecular weight 388.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyclohexyl-3-hydroxy-3-phenylpropyl) 4-methylbenzenesulfonate
Also Known As: 3-cyclohexyl-3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate, (3-cyclohexyl-3-hydroxy-3-phenylpropyl) 4-methylbenzenesulfonate
| Molecular Formula | C22H28O4S |
|---|---|
| Molecular Weight | 388.17 g/mol |
| LogP | 4.55852 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.17084 |
| Heavy Atoms | 27 |
| Complexity | 824.37634 |
Chemical Identifiers
| CAS Number | 102473-43-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCC(C2CCCCC2)(C3=CC=CC=C3)O |
Product Overview
3-Cyclohexyl-3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate (CAS 102473-43-8), with molecular formula C22H28O4S and molecular weight 388.17 g/mol. IUPAC: (3-cyclohexyl-3-hydroxy-3-phenylpropyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 3-Cyclohexyl-3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate
Property Insights of 3-Cyclohexyl-3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate
The XLogP value of 4.55852 indicates that 3-Cyclohexyl-3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyclohexyl-3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 3-Cyclohexyl-3-hydroxy-3-phenylpropyl 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 3-Cyclohexyl-3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate?
The CAS number of 3-Cyclohexyl-3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate is 102473-43-8.
What is the molecular formula of 3-Cyclohexyl-3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate?
The molecular formula of 3-Cyclohexyl-3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate is C22H28O4S.
What is the molecular weight of 3-Cyclohexyl-3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate?
The molecular weight of 3-Cyclohexyl-3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate is 388.17 g/mol.
Where can I buy 3-Cyclohexyl-3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate?
You can request a quote for 3-Cyclohexyl-3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexyl-3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexyl-3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.