2-(1-Chloroethylidene)hexanal
TL;DR: 2-(1-Chloroethylidene)hexanal (CAS 4302-27-6) is a chemical compound with molecular formula C8H13ClO and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-chloroethylidene)hexanal
Also Known As: 2-butyl-3-chloro-but-2-enal
| Molecular Formula | C8H13ClO |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.06549 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 4302-27-6 |
|---|---|
| SMILES | CCCCC(=C(C)Cl)C=O |
| InChIKey | DOLCAJWTDNODFI-UHFFFAOYSA-N |
Product Overview
2-(1-Chloroethylidene)hexanal (CAS 4302-27-6), with molecular formula C8H13ClO and molecular weight 160.07 g/mol. IUPAC: 2-(1-chloroethylidene)hexanal.
Chemical Property Profile of 2-(1-Chloroethylidene)hexanal
Property Insights of 2-(1-Chloroethylidene)hexanal
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Chloroethylidene)hexanal. With a topological polar surface area (TPSA) of 17.1 Ų, 2-(1-Chloroethylidene)hexanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Chloroethylidene)hexanal 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-(1-Chloroethylidene)hexanal?
The CAS number of 2-(1-Chloroethylidene)hexanal is 4302-27-6.
What is the molecular formula of 2-(1-Chloroethylidene)hexanal?
The molecular formula of 2-(1-Chloroethylidene)hexanal is C8H13ClO.
What is the molecular weight of 2-(1-Chloroethylidene)hexanal?
The molecular weight of 2-(1-Chloroethylidene)hexanal is 160.07 g/mol.
Where can I buy 2-(1-Chloroethylidene)hexanal?
You can request a quote for 2-(1-Chloroethylidene)hexanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Chloroethylidene)hexanal?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Chloroethylidene)hexanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.