4-Oxohexanal
TL;DR: 4-Oxohexanal (CAS 25346-59-2) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxohexanal
Also Known As: 4-oxohexanal, 1,4-hexanedione, 4-Oxo-hexanal, Hexanal, 4-oxo-, Hexane-1,4-diol
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 0.9446 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 86.52933 |
Chemical Identifiers
| CAS Number | 25346-59-2 |
|---|---|
| SMILES | CCC(=O)CCC=O |
Product Overview
4-Oxohexanal (CAS 25346-59-2), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: 4-oxohexanal.
Chemical Property Profile of 4-Oxohexanal
Property Insights of 4-Oxohexanal
The XLogP value of 0.9446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxohexanal. With a topological polar surface area (TPSA) of 34.14 Ų, 4-Oxohexanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxohexanal has 0 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-Oxohexanal?
The CAS number of 4-Oxohexanal is 25346-59-2.
What is the molecular formula of 4-Oxohexanal?
The molecular formula of 4-Oxohexanal is C6H10O2.
What is the molecular weight of 4-Oxohexanal?
The molecular weight of 4-Oxohexanal is 114.07 g/mol.
Where can I buy 4-Oxohexanal?
You can request a quote for 4-Oxohexanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxohexanal?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxohexanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.