4-Oxo-hex-5-enoic acid ethyl ester
TL;DR: 4-Oxo-hex-5-enoic acid ethyl ester (CAS 90199-67-0) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxohex-5-enoate
Also Known As: ethyl 4-oxohex-5-enoate, Gemcadiol, Ethyl 4-oxo-5-hexenoate, 4-OXO-HEX-5-ENOIC ACID ETHYL ESTER, Ethyl 4-Oxo-5-hexanoic Acid Ester
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 1.0848 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 160.72011 |
Chemical Identifiers
| CAS Number | 90199-67-0 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)C=C |
Product Overview
4-Oxo-hex-5-enoic acid ethyl ester (CAS 90199-67-0), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: ethyl 4-oxohex-5-enoate.
Chemical Property Profile of 4-Oxo-hex-5-enoic acid ethyl ester
Property Insights of 4-Oxo-hex-5-enoic acid ethyl ester
The XLogP value of 1.0848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-hex-5-enoic acid ethyl ester. With a topological polar surface area (TPSA) of 43.37 Ų, 4-Oxo-hex-5-enoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-hex-5-enoic 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 4-Oxo-hex-5-enoic acid ethyl ester?
The CAS number of 4-Oxo-hex-5-enoic acid ethyl ester is 90199-67-0.
What is the molecular formula of 4-Oxo-hex-5-enoic acid ethyl ester?
The molecular formula of 4-Oxo-hex-5-enoic acid ethyl ester is C8H12O3.
What is the molecular weight of 4-Oxo-hex-5-enoic acid ethyl ester?
The molecular weight of 4-Oxo-hex-5-enoic acid ethyl ester is 156.08 g/mol.
Where can I buy 4-Oxo-hex-5-enoic acid ethyl ester?
You can request a quote for 4-Oxo-hex-5-enoic 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 4-Oxo-hex-5-enoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-hex-5-enoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.