苯乙酮肟
TL;DR: 苯乙酮肟 (CAS 613-91-2) is a chemical compound with molecular formula C8H9NO and molecular weight 135.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯乙酮肟
N-(1-phenylethylidene)hydroxylamine
Also Known As: Acetophenone oxime, Ethanone, 1-phenyl-, oxime, acetophenonoxime, acetophenon-oxim, Acetophenoneoxime
| Molecular Formula | C8H9NO |
|---|---|
| Molecular Weight | 135.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.06842 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 613-91-2 |
|---|---|
| SMILES | CC(=NO)C1=CC=CC=C1 |
| InChIKey | JHNRZXQVBKRYKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯乙酮肟 (CAS 613-91-2), with molecular formula C8H9NO and molecular weight 135.07 g/mol. IUPAC: N-(1-phenylethylidene)hydroxylamine.
Chemical Property Profile of 苯乙酮肟
Property Insights of 苯乙酮肟
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯乙酮肟. With a topological polar surface area (TPSA) of 32.6 Ų, 苯乙酮肟 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯乙酮肟 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 苯乙酮肟?
The CAS number of 苯乙酮肟 is 613-91-2.
What is the molecular formula of 苯乙酮肟?
The molecular formula of 苯乙酮肟 is C8H9NO.
What is the molecular weight of 苯乙酮肟?
The molecular weight of 苯乙酮肟 is 135.07 g/mol.
Where can I buy 苯乙酮肟?
You can request a quote for 苯乙酮肟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯乙酮肟?
Yes, KEHONG BIO provides custom synthesis services for 苯乙酮肟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.