2-Nitrophenylurethane
TL;DR: 2-Nitrophenylurethane (CAS 31605-35-3) is a chemical compound with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(2-nitrophenyl)carbamate
Also Known As: 2-Nitrophenylurethane, o-nitrophenyl urethane, ethyl N-(2-nitrophenyl)carbamate, ethyl(2-nitrophenyl)carbamate, Carbamic acid, ethyl ester
| Molecular Formula | C9H10N2O4 |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.06406 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 31605-35-3 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | AUDONQPVYRSJNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitrophenylurethane (CAS 31605-35-3), with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol. IUPAC: ethyl N-(2-nitrophenyl)carbamate.
Chemical Property Profile of 2-Nitrophenylurethane
Property Insights of 2-Nitrophenylurethane
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrophenylurethane. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrophenylurethane. Following Lipinski's Rule of Five, 2-Nitrophenylurethane 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 2-Nitrophenylurethane?
The CAS number of 2-Nitrophenylurethane is 31605-35-3.
What is the molecular formula of 2-Nitrophenylurethane?
The molecular formula of 2-Nitrophenylurethane is C9H10N2O4.
What is the molecular weight of 2-Nitrophenylurethane?
The molecular weight of 2-Nitrophenylurethane is 210.06 g/mol.
Where can I buy 2-Nitrophenylurethane?
You can request a quote for 2-Nitrophenylurethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenylurethane?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenylurethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.