4-Octenal
TL;DR: 4-Octenal (CAS 42976-87-4) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-oct-4-enal
Also Known As: 4-octenal, trans-4-Octenal, oct-4-enal, 4E-Octenal, (E)-oct-4-enal
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 2.3218 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 84.56843 |
Chemical Identifiers
| CAS Number | 42976-87-4 |
|---|---|
| SMILES | CCC/C=C/CCC=O |
Product Overview
4-Octenal (CAS 42976-87-4), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: (E)-oct-4-enal.
Chemical Property Profile of 4-Octenal
Property Insights of 4-Octenal
The XLogP value of 2.3218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Octenal. With a topological polar surface area (TPSA) of 17.07 Ų, 4-Octenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Octenal 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-Octenal?
The CAS number of 4-Octenal is 42976-87-4.
What is the molecular formula of 4-Octenal?
The molecular formula of 4-Octenal is C8H14O.
What is the molecular weight of 4-Octenal?
The molecular weight of 4-Octenal is 126.10 g/mol.
Where can I buy 4-Octenal?
You can request a quote for 4-Octenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Octenal?
Yes, KEHONG BIO provides custom synthesis services for 4-Octenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.