2-(羟亚氨基)-2-苯基乙腈
TL;DR: 2-(羟亚氨基)-2-苯基乙腈 (CAS 825-52-5) is a chemical compound with molecular formula C8H6N2O and molecular weight 146.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(羟亚氨基)-2-苯基乙腈
2-hydroxyimino-2-phenylacetonitrile
Also Known As: Valexone, N-Hydroxybenzimidoyl cyanide, 2-hydroxyimino-2-phenylacetonitrile, Oximinophenylacetonitrile, phenylglyoxylonitrile oxime
| Molecular Formula | C8H6N2O |
|---|---|
| Molecular Weight | 146.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.04802 |
| Heavy Atoms | 11 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 825-52-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=NO)C#N |
| InChIKey | MJCQFBKIFDVTTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(羟亚氨基)-2-苯基乙腈 (CAS 825-52-5), with molecular formula C8H6N2O and molecular weight 146.05 g/mol. IUPAC: 2-hydroxyimino-2-phenylacetonitrile.
Chemical Property Profile of 2-(羟亚氨基)-2-苯基乙腈
Property Insights of 2-(羟亚氨基)-2-苯基乙腈
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(羟亚氨基)-2-苯基乙腈. With a topological polar surface area (TPSA) of 56.4 Ų, 2-(羟亚氨基)-2-苯基乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(羟亚氨基)-2-苯基乙腈 has 1 hydrogen bond donor(s) and 3 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 2-(羟亚氨基)-2-苯基乙腈?
The CAS number of 2-(羟亚氨基)-2-苯基乙腈 is 825-52-5.
What is the molecular formula of 2-(羟亚氨基)-2-苯基乙腈?
The molecular formula of 2-(羟亚氨基)-2-苯基乙腈 is C8H6N2O.
What is the molecular weight of 2-(羟亚氨基)-2-苯基乙腈?
The molecular weight of 2-(羟亚氨基)-2-苯基乙腈 is 146.05 g/mol.
Where can I buy 2-(羟亚氨基)-2-苯基乙腈?
You can request a quote for 2-(羟亚氨基)-2-苯基乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(羟亚氨基)-2-苯基乙腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(羟亚氨基)-2-苯基乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.