Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate
TL;DR: Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate (CAS 85426-48-8) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyclohex-3-en-1-yl-3-hydroxypropanoate
Also Known As: ethyl 3-hydroxy-3-(3-cyclohexenyl)propionate, Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate, ethyl 3-cyclohex-3-en-1-yl-3-hydroxypropanoate, Ethyl 3-(3-cyclohexen-1-yl)-3-hydroxypropanoate #
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 85426-48-8 |
|---|---|
| SMILES | CCOC(=O)CC(C1CCC=CC1)O |
| InChIKey | BHSOGMCZCBIQIP-UHFFFAOYSA-N |
Product Overview
Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate (CAS 85426-48-8), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: ethyl 3-cyclohex-3-en-1-yl-3-hydroxypropanoate.
Chemical Property Profile of Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate
Property Insights of Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate 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 Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate?
The CAS number of Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate is 85426-48-8.
What is the molecular formula of Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate?
The molecular formula of Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate is C11H18O3.
What is the molecular weight of Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate?
The molecular weight of Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate is 198.13 g/mol.
Where can I buy Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate?
You can request a quote for Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hydroxy-3-(cyclohex-3-enyl)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.