2-Hydroxy-2-phenylcyclohexyl methanesulfonate
TL;DR: 2-Hydroxy-2-phenylcyclohexyl methanesulfonate (CAS 99344-07-7) 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.
[(1S,2S)-2-hydroxy-2-phenylcyclohexyl] methanesulfonate
Also Known As: 2-hydroxy-2-phenylcyclohexyl methanesulfonate, AQ-387/42302709, [(1S,2S)-2-hydroxy-2-phenylcyclohexyl] methanesulfonate, Rel-(1S,2S)-2-hydroxy-2-phenylcyclohexyl methanesulfonate
| Molecular Formula | C13H18O4S |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 1.793 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0926 |
| Heavy Atoms | 18 |
| Complexity | 496.98236 |
Chemical Identifiers
| CAS Number | 99344-07-7 |
|---|---|
| SMILES | CS(=O)(=O)O[C@H]1CCCC[C@@]1(C2=CC=CC=C2)O |
Product Overview
2-Hydroxy-2-phenylcyclohexyl methanesulfonate (CAS 99344-07-7), with molecular formula C13H18O4S and molecular weight 270.09 g/mol. IUPAC: [(1S,2S)-2-hydroxy-2-phenylcyclohexyl] methanesulfonate.
Chemical Property Profile of 2-Hydroxy-2-phenylcyclohexyl methanesulfonate
Property Insights of 2-Hydroxy-2-phenylcyclohexyl methanesulfonate
The XLogP value of 1.793 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-2-phenylcyclohexyl methanesulfonate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-2-phenylcyclohexyl methanesulfonate. Following Lipinski's Rule of Five, 2-Hydroxy-2-phenylcyclohexyl methanesulfonate 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-Hydroxy-2-phenylcyclohexyl methanesulfonate?
The CAS number of 2-Hydroxy-2-phenylcyclohexyl methanesulfonate is 99344-07-7.
What is the molecular formula of 2-Hydroxy-2-phenylcyclohexyl methanesulfonate?
The molecular formula of 2-Hydroxy-2-phenylcyclohexyl methanesulfonate is C13H18O4S.
What is the molecular weight of 2-Hydroxy-2-phenylcyclohexyl methanesulfonate?
The molecular weight of 2-Hydroxy-2-phenylcyclohexyl methanesulfonate is 270.09 g/mol.
Where can I buy 2-Hydroxy-2-phenylcyclohexyl methanesulfonate?
You can request a quote for 2-Hydroxy-2-phenylcyclohexyl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-2-phenylcyclohexyl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-2-phenylcyclohexyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.