cis-Ethyl 2-hydroxycyclohexanecarboxylate
TL;DR: cis-Ethyl 2-hydroxycyclohexanecarboxylate (CAS 61586-78-5) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate
Also Known As: cis-Ethyl 2-hydroxycyclohexanecarboxylate, (1R,2S)-Ethyl 2-hydroxycyclohexanecarboxylate, ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate, CIS-ETHYL 2-HYDROXY-CYCLOHEXANECARBOXYLATE, cis-Ethyl2-hydroxycyclohexanecarboxylate
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.1006 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 155.85263 |
Chemical Identifiers
| CAS Number | 61586-78-5 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1CCCC[C@@H]1O |
Product Overview
cis-Ethyl 2-hydroxycyclohexanecarboxylate (CAS 61586-78-5), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: cis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate.
Chemical Property Profile of cis-Ethyl 2-hydroxycyclohexanecarboxylate
Property Insights of cis-Ethyl 2-hydroxycyclohexanecarboxylate
The XLogP value of 1.1006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-Ethyl 2-hydroxycyclohexanecarboxylate. With a topological polar surface area (TPSA) of 46.53 Ų, cis-Ethyl 2-hydroxycyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-Ethyl 2-hydroxycyclohexanecarboxylate 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 cis-Ethyl 2-hydroxycyclohexanecarboxylate?
The CAS number of cis-Ethyl 2-hydroxycyclohexanecarboxylate is 61586-78-5.
What is the molecular formula of cis-Ethyl 2-hydroxycyclohexanecarboxylate?
The molecular formula of cis-Ethyl 2-hydroxycyclohexanecarboxylate is C9H16O3.
What is the molecular weight of cis-Ethyl 2-hydroxycyclohexanecarboxylate?
The molecular weight of cis-Ethyl 2-hydroxycyclohexanecarboxylate is 172.11 g/mol.
Where can I buy cis-Ethyl 2-hydroxycyclohexanecarboxylate?
You can request a quote for cis-Ethyl 2-hydroxycyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-Ethyl 2-hydroxycyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for cis-Ethyl 2-hydroxycyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.