4,5-Oxohexenoate
TL;DR: 4,5-Oxohexenoate (CAS 74923-21-0) is a chemical compound with molecular formula C6H8O3 and molecular weight 128.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoic acid
Also Known As: Mitiglinide, 4,5-Oxohexenoate, 2-Propenoic acid, 3-(3-methyloxiranyl)-, (2alpha(E),3beta)-, (E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoic acid
| Molecular Formula | C6H8O3 |
|---|---|
| Molecular Weight | 128.05 g/mol |
| LogP | 0.4145 |
| Topological Polar Surface Area | 49.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.04735 |
| Heavy Atoms | 9 |
| Complexity | 150.38196 |
Chemical Identifiers
| CAS Number | 74923-21-0 |
|---|---|
| SMILES | C[C@@H]1[C@H](O1)/C=C/C(=O)O |
Product Overview
4,5-Oxohexenoate (CAS 74923-21-0), with molecular formula C6H8O3 and molecular weight 128.05 g/mol. IUPAC: (E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoic acid.
Chemical Property Profile of 4,5-Oxohexenoate
Property Insights of 4,5-Oxohexenoate
The XLogP value of 0.4145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Oxohexenoate. With a topological polar surface area (TPSA) of 49.83 Ų, 4,5-Oxohexenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Oxohexenoate has 1 hydrogen bond donor(s) and 2 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 4,5-Oxohexenoate?
The CAS number of 4,5-Oxohexenoate is 74923-21-0.
What is the molecular formula of 4,5-Oxohexenoate?
The molecular formula of 4,5-Oxohexenoate is C6H8O3.
What is the molecular weight of 4,5-Oxohexenoate?
The molecular weight of 4,5-Oxohexenoate is 128.05 g/mol.
Where can I buy 4,5-Oxohexenoate?
You can request a quote for 4,5-Oxohexenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Oxohexenoate?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Oxohexenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.