3-Phenyl-2-propenal oxime
TL;DR: 3-Phenyl-2-propenal oxime (CAS 13372-81-1) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cinnamylidenehydroxylamine
Also Known As: Cinnamaldehyde oxime, cinnamaldoxime, (Z,)-Cinnamaldehyde oxime, N-cinnamylidenehydroxylamine, 3-Phenylacrylaldehyde oxime
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 13372-81-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC=NO |
| InChIKey | RUQDOYIAKHIMAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyl-2-propenal oxime (CAS 13372-81-1), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: N-cinnamylidenehydroxylamine.
Chemical Property Profile of 3-Phenyl-2-propenal oxime
Property Insights of 3-Phenyl-2-propenal oxime
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-2-propenal oxime. With a topological polar surface area (TPSA) of 32.6 Ų, 3-Phenyl-2-propenal oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-2-propenal oxime has 1 hydrogen bond donor(s) and 2 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 3-Phenyl-2-propenal oxime?
The CAS number of 3-Phenyl-2-propenal oxime is 13372-81-1.
What is the molecular formula of 3-Phenyl-2-propenal oxime?
The molecular formula of 3-Phenyl-2-propenal oxime is C9H9NO.
What is the molecular weight of 3-Phenyl-2-propenal oxime?
The molecular weight of 3-Phenyl-2-propenal oxime is 147.07 g/mol.
Where can I buy 3-Phenyl-2-propenal oxime?
You can request a quote for 3-Phenyl-2-propenal oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-2-propenal oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-2-propenal oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.