Phenyl-2-hexenal
TL;DR: Phenyl-2-hexenal (CAS 94133-59-2) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylhex-2-enal
Also Known As: phenyl-2-hexenal, 2-Phenylhex-2-enal, I+/--Butylidenebenzeneacetaldehyde
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 3.069 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 285.2526 |
Chemical Identifiers
| CAS Number | 94133-59-2 |
|---|---|
| SMILES | CCCC=C(C=O)C1=CC=CC=C1 |
Product Overview
Phenyl-2-hexenal (CAS 94133-59-2), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: 2-phenylhex-2-enal.
Chemical Property Profile of Phenyl-2-hexenal
Property Insights of Phenyl-2-hexenal
The XLogP value of 3.069 indicates that Phenyl-2-hexenal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Phenyl-2-hexenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl-2-hexenal 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 Phenyl-2-hexenal?
The CAS number of Phenyl-2-hexenal is 94133-59-2.
What is the molecular formula of Phenyl-2-hexenal?
The molecular formula of Phenyl-2-hexenal is C12H14O.
What is the molecular weight of Phenyl-2-hexenal?
The molecular weight of Phenyl-2-hexenal is 174.10 g/mol.
Where can I buy Phenyl-2-hexenal?
You can request a quote for Phenyl-2-hexenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl-2-hexenal?
Yes, KEHONG BIO provides custom synthesis services for Phenyl-2-hexenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.