3-Heptenal
TL;DR: 3-Heptenal (CAS 21662-20-4) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-hept-3-enal
Also Known As: hept-3-enal, (E)-hept-3-enal, J1.598.026E, RefChem:94015
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.9317 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 74.45601 |
Chemical Identifiers
| CAS Number | 21662-20-4 |
|---|---|
| SMILES | CCC/C=C/CC=O |
Product Overview
3-Heptenal (CAS 21662-20-4), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: (E)-hept-3-enal.
Chemical Property Profile of 3-Heptenal
Property Insights of 3-Heptenal
The XLogP value of 1.9317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Heptenal. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Heptenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptenal 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 3-Heptenal?
The CAS number of 3-Heptenal is 21662-20-4.
What is the molecular formula of 3-Heptenal?
The molecular formula of 3-Heptenal is C7H12O.
What is the molecular weight of 3-Heptenal?
The molecular weight of 3-Heptenal is 112.09 g/mol.
Where can I buy 3-Heptenal?
You can request a quote for 3-Heptenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Heptenal?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.