Butanal, 2-(phenylmethylene)-
TL;DR: Butanal, 2-(phenylmethylene)- (CAS 28467-92-7) is a chemical compound with molecular formula C11H12O and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylidenebutanal
Also Known As: 2-benzylidenebutanal, 2-Benzylidene-butyraldehyde, Butanal, 2-(phenylmethylene)-, alpha-Ethylcinnamaldehyde, Butanal,2-(phenylmethylene)-
| Molecular Formula | C11H12O |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.08882 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 28467-92-7 |
|---|---|
| SMILES | CCC(=CC1=CC=CC=C1)C=O |
| InChIKey | BOCRJYUZWIOMOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanal, 2-(phenylmethylene)- (CAS 28467-92-7), with molecular formula C11H12O and molecular weight 160.09 g/mol. IUPAC: 2-benzylidenebutanal.
Chemical Property Profile of Butanal, 2-(phenylmethylene)-
Property Insights of Butanal, 2-(phenylmethylene)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanal, 2-(phenylmethylene)-. With a topological polar surface area (TPSA) of 17.1 Ų, Butanal, 2-(phenylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanal, 2-(phenylmethylene)- 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 Butanal, 2-(phenylmethylene)-?
The CAS number of Butanal, 2-(phenylmethylene)- is 28467-92-7.
What is the molecular formula of Butanal, 2-(phenylmethylene)-?
The molecular formula of Butanal, 2-(phenylmethylene)- is C11H12O.
What is the molecular weight of Butanal, 2-(phenylmethylene)-?
The molecular weight of Butanal, 2-(phenylmethylene)- is 160.09 g/mol.
Where can I buy Butanal, 2-(phenylmethylene)-?
You can request a quote for Butanal, 2-(phenylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanal, 2-(phenylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for Butanal, 2-(phenylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.