4-Hydroxy-2-heptenal
TL;DR: 4-Hydroxy-2-heptenal (CAS 17427-09-7) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxyhept-2-enal
Also Known As: 4-Hydroxyheptenal, 4-Hydroxy-2-heptenal, 2-HEPTENAL, 4-HYDROXY-
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 17427-09-7 |
|---|---|
| SMILES | CCCC(C=CC=O)O |
| InChIKey | AAIBHIYBGXKHAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-2-heptenal (CAS 17427-09-7), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 4-hydroxyhept-2-enal.
Chemical Property Profile of 4-Hydroxy-2-heptenal
Property Insights of 4-Hydroxy-2-heptenal
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-2-heptenal. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Hydroxy-2-heptenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-2-heptenal has 1 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-Hydroxy-2-heptenal?
The CAS number of 4-Hydroxy-2-heptenal is 17427-09-7.
What is the molecular formula of 4-Hydroxy-2-heptenal?
The molecular formula of 4-Hydroxy-2-heptenal is C7H12O2.
What is the molecular weight of 4-Hydroxy-2-heptenal?
The molecular weight of 4-Hydroxy-2-heptenal is 128.08 g/mol.
Where can I buy 4-Hydroxy-2-heptenal?
You can request a quote for 4-Hydroxy-2-heptenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2-heptenal?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2-heptenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.