4-Ethylhexanal
TL;DR: 4-Ethylhexanal (CAS 536994-09-9) is a chemical compound with molecular formula C8H16O and molecular weight 128.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethylhexanal
Also Known As: 4-ethylhexanal, Octanal, branched, Aldehydes, C8, branched, 960-505-5, RefChem:522867
| Molecular Formula | C8H16O |
|---|---|
| Molecular Weight | 128.12 g/mol |
| LogP | 2.4017 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 128.12012 |
| Heavy Atoms | 9 |
| Complexity | 64.96789 |
Chemical Identifiers
| CAS Number | 536994-09-9 |
|---|---|
| SMILES | CCC(CC)CCC=O |
Product Overview
4-Ethylhexanal (CAS 536994-09-9), with molecular formula C8H16O and molecular weight 128.12 g/mol. IUPAC: 4-ethylhexanal.
Chemical Property Profile of 4-Ethylhexanal
Property Insights of 4-Ethylhexanal
The XLogP value of 2.4017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethylhexanal. With a topological polar surface area (TPSA) of 17.07 Ų, 4-Ethylhexanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylhexanal has 0 hydrogen bond donor(s) and 1 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-Ethylhexanal?
The CAS number of 4-Ethylhexanal is 536994-09-9.
What is the molecular formula of 4-Ethylhexanal?
The molecular formula of 4-Ethylhexanal is C8H16O.
What is the molecular weight of 4-Ethylhexanal?
The molecular weight of 4-Ethylhexanal is 128.12 g/mol.
Where can I buy 4-Ethylhexanal?
You can request a quote for 4-Ethylhexanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylhexanal?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylhexanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.