1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime
TL;DR: 1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime (CAS 864232-51-9) is a chemical compound with molecular formula C15H13N3O4 and molecular weight 299.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-(4-nitrophenyl)ethylideneamino] N-phenylcarbamate
Also Known As: 1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime
| Molecular Formula | C15H13N3O4 |
|---|---|
| Molecular Weight | 299.09 g/mol |
| LogP | 3.5675 |
| Topological Polar Surface Area | 93.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.0906 |
| Heavy Atoms | 22 |
| Complexity | 696.4873 |
Chemical Identifiers
| CAS Number | 864232-51-9 |
|---|---|
| SMILES | C/C(=N\OC(=O)NC1=CC=CC=C1)/C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime (CAS 864232-51-9), with molecular formula C15H13N3O4 and molecular weight 299.09 g/mol. IUPAC: [(E)-1-(4-nitrophenyl)ethylideneamino] N-phenylcarbamate.
Chemical Property Profile of 1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime
Property Insights of 1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime
The XLogP value of 3.5675 indicates that 1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime has 1 hydrogen bond donor(s) and 5 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 1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime?
The CAS number of 1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime is 864232-51-9.
What is the molecular formula of 1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime?
The molecular formula of 1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime is C15H13N3O4.
What is the molecular weight of 1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime?
The molecular weight of 1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime is 299.09 g/mol.
Where can I buy 1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime?
You can request a quote for 1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)ethan-1-one O-phenylcarbamoyl Oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.