2-Benzylidenehexanal
TL;DR: 2-Benzylidenehexanal (CAS 7492-44-6) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylidenehexanal
Also Known As: 2-Benzylidenehexanal, 2-(Phenylmethylene)hexanal, alpha-Butylcinnamaldehyde, Butyl cinnamic aldehyde, alpha-butyl cinnamaldehyde
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 7492-44-6 |
|---|---|
| SMILES | CCCCC(=CC1=CC=CC=C1)C=O |
| InChIKey | GFBCBQNBXRPRQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzylidenehexanal (CAS 7492-44-6), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: 2-benzylidenehexanal.
Chemical Property Profile of 2-Benzylidenehexanal
Property Insights of 2-Benzylidenehexanal
The XLogP value of 3.7 indicates that 2-Benzylidenehexanal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Benzylidenehexanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylidenehexanal 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-Benzylidenehexanal?
The CAS number of 2-Benzylidenehexanal is 7492-44-6.
What is the molecular formula of 2-Benzylidenehexanal?
The molecular formula of 2-Benzylidenehexanal is C13H16O.
What is the molecular weight of 2-Benzylidenehexanal?
The molecular weight of 2-Benzylidenehexanal is 188.12 g/mol.
Where can I buy 2-Benzylidenehexanal?
You can request a quote for 2-Benzylidenehexanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylidenehexanal?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylidenehexanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.