苯基N-(3-硝基苯基)氨基甲酸酯
TL;DR: 苯基N-(3-硝基苯基)氨基甲酸酯 (CAS 50699-52-0) is a chemical compound with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯基N-(3-硝基苯基)氨基甲酸酯
phenyl N-(3-nitrophenyl)carbamate
Also Known As: phenyl N-(3-nitrophenyl)carbamate, phenyl (3-nitrophenyl)carbamate, phenyl 3-nitrophenylcarbamate, 3-NITROPHENYL PHENYLCARBAMATE, phenyl(3-nitrophenyl)carbamate
| Molecular Formula | C13H10N2O4 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.06406 |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 50699-52-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | JRBQTHUEPKJNBD-UHFFFAOYSA-N |
Product Overview
苯基N-(3-硝基苯基)氨基甲酸酯 (CAS 50699-52-0), with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol. IUPAC: phenyl N-(3-nitrophenyl)carbamate.
Chemical Property Profile of 苯基N-(3-硝基苯基)氨基甲酸酯
Property Insights of 苯基N-(3-硝基苯基)氨基甲酸酯
The XLogP value of 3.1 indicates that 苯基N-(3-硝基苯基)氨基甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯基N-(3-硝基苯基)氨基甲酸酯. Following Lipinski's Rule of Five, 苯基N-(3-硝基苯基)氨基甲酸酯 has 1 hydrogen bond donor(s) and 4 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 苯基N-(3-硝基苯基)氨基甲酸酯?
The CAS number of 苯基N-(3-硝基苯基)氨基甲酸酯 is 50699-52-0.
What is the molecular formula of 苯基N-(3-硝基苯基)氨基甲酸酯?
The molecular formula of 苯基N-(3-硝基苯基)氨基甲酸酯 is C13H10N2O4.
What is the molecular weight of 苯基N-(3-硝基苯基)氨基甲酸酯?
The molecular weight of 苯基N-(3-硝基苯基)氨基甲酸酯 is 258.06 g/mol.
Where can I buy 苯基N-(3-硝基苯基)氨基甲酸酯?
You can request a quote for 苯基N-(3-硝基苯基)氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯基N-(3-硝基苯基)氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 苯基N-(3-硝基苯基)氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.