2-(Phenylmethylene)octanal
TL;DR: 2-(Phenylmethylene)octanal (CAS 101-86-0) is a chemical compound with molecular formula C15H20O and molecular weight 216.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylideneoctanal
Also Known As: 2-Benzylideneoctanal, alpha-Hexylcinnamaldehyde, hexyl cinnamal, Octanal, 2-(phenylmethylene)-, 2-(Phenylmethylene)octanal
| Molecular Formula | C15H20O |
|---|---|
| Molecular Weight | 216.15 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 216.15141 |
| Heavy Atoms | 16 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 101-86-0 |
|---|---|
| SMILES | CCCCCCC(=CC1=CC=CC=C1)C=O |
| InChIKey | GUUHFMWKWLOQMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Phenylmethylene)octanal (CAS 101-86-0), with molecular formula C15H20O and molecular weight 216.15 g/mol. IUPAC: 2-benzylideneoctanal.
Chemical Property Profile of 2-(Phenylmethylene)octanal
Property Insights of 2-(Phenylmethylene)octanal
The XLogP value of 4.8 indicates that 2-(Phenylmethylene)octanal 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-(Phenylmethylene)octanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylmethylene)octanal 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-(Phenylmethylene)octanal?
The CAS number of 2-(Phenylmethylene)octanal is 101-86-0.
What is the molecular formula of 2-(Phenylmethylene)octanal?
The molecular formula of 2-(Phenylmethylene)octanal is C15H20O.
What is the molecular weight of 2-(Phenylmethylene)octanal?
The molecular weight of 2-(Phenylmethylene)octanal is 216.15 g/mol.
Where can I buy 2-(Phenylmethylene)octanal?
You can request a quote for 2-(Phenylmethylene)octanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylmethylene)octanal?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylmethylene)octanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.