3,4-Epoxyhexanoic acid, ethyl ester
TL;DR: 3,4-Epoxyhexanoic acid, ethyl ester (CAS 61454-92-0) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-ethyloxiran-2-yl)acetate
Also Known As: ethyl 3,4-epoxyhexanoate, ethyl 2-(3-ethyloxiran-2-yl)acetate, Ethyl (3-ethyl-2-oxiranyl)acetate, 3,4-Epoxyhexanoic acid, ethyl ester, Ethyl (3-ethyl-2-oxiranyl)acetate #
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 61454-92-0 |
|---|---|
| SMILES | CCC1C(O1)CC(=O)OCC |
| InChIKey | SBCKRNKVDGEBDV-UHFFFAOYSA-N |
Product Overview
3,4-Epoxyhexanoic acid, ethyl ester (CAS 61454-92-0), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: ethyl 2-(3-ethyloxiran-2-yl)acetate.
Chemical Property Profile of 3,4-Epoxyhexanoic acid, ethyl ester
Property Insights of 3,4-Epoxyhexanoic acid, ethyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Epoxyhexanoic acid, ethyl ester. With a topological polar surface area (TPSA) of 38.8 Ų, 3,4-Epoxyhexanoic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Epoxyhexanoic acid, ethyl ester has 0 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 3,4-Epoxyhexanoic acid, ethyl ester?
The CAS number of 3,4-Epoxyhexanoic acid, ethyl ester is 61454-92-0.
What is the molecular formula of 3,4-Epoxyhexanoic acid, ethyl ester?
The molecular formula of 3,4-Epoxyhexanoic acid, ethyl ester is C8H14O3.
What is the molecular weight of 3,4-Epoxyhexanoic acid, ethyl ester?
The molecular weight of 3,4-Epoxyhexanoic acid, ethyl ester is 158.09 g/mol.
Where can I buy 3,4-Epoxyhexanoic acid, ethyl ester?
You can request a quote for 3,4-Epoxyhexanoic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Epoxyhexanoic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Epoxyhexanoic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.