2-Hepten-1-al
TL;DR: 2-Hepten-1-al (CAS 18829-55-5) 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-2-enal
Also Known As: trans-2-Heptenal, hept-2-enal, 2-HEPTENAL, Butylacrolein, Heptenal
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 2.1 |
| 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 | 18829-55-5 |
|---|---|
| SMILES | CCCCC=CC=O |
| InChIKey | NDFKTBCGKNOHPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hepten-1-al (CAS 18829-55-5), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: hept-2-enal.
Chemical Property Profile of 2-Hepten-1-al
Property Insights of 2-Hepten-1-al
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hepten-1-al. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Hepten-1-al exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hepten-1-al 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 2-Hepten-1-al?
The CAS number of 2-Hepten-1-al is 18829-55-5.
What is the molecular formula of 2-Hepten-1-al?
The molecular formula of 2-Hepten-1-al is C7H12O.
What is the molecular weight of 2-Hepten-1-al?
The molecular weight of 2-Hepten-1-al is 112.09 g/mol.
Where can I buy 2-Hepten-1-al?
You can request a quote for 2-Hepten-1-al directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hepten-1-al?
Yes, KEHONG BIO provides custom synthesis services for 2-Hepten-1-al and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.