Methyl 2-(1-hydroxycyclohexyl)propanoate
TL;DR: Methyl 2-(1-hydroxycyclohexyl)propanoate (CAS 31042-01-0) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-hydroxycyclohexyl)propanoate
Also Known As: methyl 2-(1-hydroxycyclohexyl)propanoate, J1.875.557B, 2-(1-Hydroxycyclohexyl)propanoic acid methyl ester, 2-(1-Hydroxycyclohexyl)propionic acid methyl ester, alpha-Methyl-1-hydroxycyclohexaneacetic acid methyl ester
| Molecular Formula | C10H18O3 |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.1256 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 31042-01-0 |
|---|---|
| SMILES | CC(C(=O)OC)C1(CCCCC1)O |
| InChIKey | FSFKIIYLRNEFSM-UHFFFAOYSA-N |
Product Overview
Methyl 2-(1-hydroxycyclohexyl)propanoate (CAS 31042-01-0), with molecular formula C10H18O3 and molecular weight 186.13 g/mol. IUPAC: methyl 2-(1-hydroxycyclohexyl)propanoate.
Chemical Property Profile of Methyl 2-(1-hydroxycyclohexyl)propanoate
Property Insights of Methyl 2-(1-hydroxycyclohexyl)propanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1-hydroxycyclohexyl)propanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 2-(1-hydroxycyclohexyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(1-hydroxycyclohexyl)propanoate has 1 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 Methyl 2-(1-hydroxycyclohexyl)propanoate?
The CAS number of Methyl 2-(1-hydroxycyclohexyl)propanoate is 31042-01-0.
What is the molecular formula of Methyl 2-(1-hydroxycyclohexyl)propanoate?
The molecular formula of Methyl 2-(1-hydroxycyclohexyl)propanoate is C10H18O3.
What is the molecular weight of Methyl 2-(1-hydroxycyclohexyl)propanoate?
The molecular weight of Methyl 2-(1-hydroxycyclohexyl)propanoate is 186.13 g/mol.
Where can I buy Methyl 2-(1-hydroxycyclohexyl)propanoate?
You can request a quote for Methyl 2-(1-hydroxycyclohexyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1-hydroxycyclohexyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1-hydroxycyclohexyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.