Cis-2-oxohex-4-enoic acid
TL;DR: Cis-2-oxohex-4-enoic acid (CAS 17298-80-5) 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.
(Z)-2-oxohex-4-enoic acid
Also Known As: (Z)-2-oxo-4-hexenoic acid, 2-Oxo-cis-4-hexenoic acid, (Z)-2-oxohex-4-enoic acid, cis-2-oxohex-4-enoic acid, starbld0008333
| Molecular Formula | C6H8O3 |
|---|---|
| Molecular Weight | 128.05 g/mol |
| LogP | 0.6063 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.04735 |
| Heavy Atoms | 9 |
| Complexity | 146.38196 |
Chemical Identifiers
| CAS Number | 17298-80-5 |
|---|---|
| SMILES | C/C=C\CC(=O)C(=O)O |
Product Overview
Cis-2-oxohex-4-enoic acid (CAS 17298-80-5), with molecular formula C6H8O3 and molecular weight 128.05 g/mol. IUPAC: (Z)-2-oxohex-4-enoic acid.
Chemical Property Profile of Cis-2-oxohex-4-enoic acid
Property Insights of Cis-2-oxohex-4-enoic acid
The XLogP value of 0.6063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cis-2-oxohex-4-enoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, Cis-2-oxohex-4-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cis-2-oxohex-4-enoic acid 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 Cis-2-oxohex-4-enoic acid?
The CAS number of Cis-2-oxohex-4-enoic acid is 17298-80-5.
What is the molecular formula of Cis-2-oxohex-4-enoic acid?
The molecular formula of Cis-2-oxohex-4-enoic acid is C6H8O3.
What is the molecular weight of Cis-2-oxohex-4-enoic acid?
The molecular weight of Cis-2-oxohex-4-enoic acid is 128.05 g/mol.
Where can I buy Cis-2-oxohex-4-enoic acid?
You can request a quote for Cis-2-oxohex-4-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cis-2-oxohex-4-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for Cis-2-oxohex-4-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.