Phenyl 3-butenyl ketone oxime
TL;DR: Phenyl 3-butenyl ketone oxime (CAS 59239-04-2) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-phenylpent-4-enylidene)hydroxylamine
Also Known As: phenyl 3-butenyl ketone oxime, N-(1-phenylpent-4-enylidene)hydroxylamine, (NZ)-N-(1-phenylpent-4-enylidene)hydroxylamine
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 59239-04-2 |
|---|---|
| SMILES | C=CCCC(=NO)C1=CC=CC=C1 |
| InChIKey | HBQOBNFVZMZRGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl 3-butenyl ketone oxime (CAS 59239-04-2), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: N-(1-phenylpent-4-enylidene)hydroxylamine.
Chemical Property Profile of Phenyl 3-butenyl ketone oxime
Property Insights of Phenyl 3-butenyl ketone oxime
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 3-butenyl ketone oxime. With a topological polar surface area (TPSA) of 32.6 Ų, Phenyl 3-butenyl ketone oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 3-butenyl ketone 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 Phenyl 3-butenyl ketone oxime?
The CAS number of Phenyl 3-butenyl ketone oxime is 59239-04-2.
What is the molecular formula of Phenyl 3-butenyl ketone oxime?
The molecular formula of Phenyl 3-butenyl ketone oxime is C11H13NO.
What is the molecular weight of Phenyl 3-butenyl ketone oxime?
The molecular weight of Phenyl 3-butenyl ketone oxime is 175.10 g/mol.
Where can I buy Phenyl 3-butenyl ketone oxime?
You can request a quote for Phenyl 3-butenyl ketone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 3-butenyl ketone oxime?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 3-butenyl ketone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.