3-Phenylpropionaldoxime
TL;DR: 3-Phenylpropionaldoxime (CAS 1197-50-8) is a chemical compound with molecular formula C9H11NO and molecular weight 149.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-(3-phenylpropylidene)hydroxylamine
Also Known As: 3-Phenylpropionaldoxim, 3-Phenylpropanal oxime, 3-phenylpropionaldoxime, Benzenepropanal oxime, Benzenepropanal, oxime
| Molecular Formula | C9H11NO |
|---|---|
| Molecular Weight | 149.08 g/mol |
| LogP | 2.0792 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.08406 |
| Heavy Atoms | 11 |
| Complexity | 218.26416 |
Chemical Identifiers
| CAS Number | 1197-50-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC/C=N/O |
Product Overview
3-Phenylpropionaldoxime (CAS 1197-50-8), with molecular formula C9H11NO and molecular weight 149.08 g/mol. IUPAC: (NE)-N-(3-phenylpropylidene)hydroxylamine.
Chemical Property Profile of 3-Phenylpropionaldoxime
Property Insights of 3-Phenylpropionaldoxime
The XLogP value of 2.0792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylpropionaldoxime. With a topological polar surface area (TPSA) of 32.59 Ų, 3-Phenylpropionaldoxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropionaldoxime 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-Phenylpropionaldoxime?
The CAS number of 3-Phenylpropionaldoxime is 1197-50-8.
What is the molecular formula of 3-Phenylpropionaldoxime?
The molecular formula of 3-Phenylpropionaldoxime is C9H11NO.
What is the molecular weight of 3-Phenylpropionaldoxime?
The molecular weight of 3-Phenylpropionaldoxime is 149.08 g/mol.
Where can I buy 3-Phenylpropionaldoxime?
You can request a quote for 3-Phenylpropionaldoxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropionaldoxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropionaldoxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.