Hept-4-enal
TL;DR: Hept-4-enal (CAS 6728-31-0) 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.
hept-4-enal
Also Known As: hept-4-enal, cis-4-Heptenal, 4-Heptenal, 4-Heptenal, (4Z)-, c4-heptenal
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 6728-31-0 |
|---|---|
| SMILES | CCC=CCCC=O |
| InChIKey | VVGOCOMZRGWHPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hept-4-enal (CAS 6728-31-0), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: hept-4-enal.
Chemical Property Profile of Hept-4-enal
Property Insights of Hept-4-enal
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hept-4-enal. With a topological polar surface area (TPSA) of 17.1 Ų, Hept-4-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hept-4-enal 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 Hept-4-enal?
The CAS number of Hept-4-enal is 6728-31-0.
What is the molecular formula of Hept-4-enal?
The molecular formula of Hept-4-enal is C7H12O.
What is the molecular weight of Hept-4-enal?
The molecular weight of Hept-4-enal is 112.09 g/mol.
Where can I buy Hept-4-enal?
You can request a quote for Hept-4-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hept-4-enal?
Yes, KEHONG BIO provides custom synthesis services for Hept-4-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.