Methyl N-(3-nitrophenyl)carbamate
TL;DR: Methyl N-(3-nitrophenyl)carbamate (CAS 2189-61-9) is a chemical compound with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(3-nitrophenyl)carbamate
Also Known As: Methyl N-(3-nitrophenyl)carbamate, methyl m-nitrocarbanilate, Methyl (3-nitrophenyl)carbamate, 3-(Methoxycarbonylamino)nitrobenzene, (3-Nitrophenyl)carbamic acid methyl ester
| Molecular Formula | C8H8N2O4 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 1.7731 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0484 |
| Heavy Atoms | 14 |
| Complexity | 364.11383 |
Chemical Identifiers
| CAS Number | 2189-61-9 |
|---|---|
| SMILES | COC(=O)NC1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
Methyl N-(3-nitrophenyl)carbamate (CAS 2189-61-9), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: methyl N-(3-nitrophenyl)carbamate.
Chemical Property Profile of Methyl N-(3-nitrophenyl)carbamate
Property Insights of Methyl N-(3-nitrophenyl)carbamate
The XLogP value of 1.7731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(3-nitrophenyl)carbamate. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-(3-nitrophenyl)carbamate. Following Lipinski's Rule of Five, Methyl N-(3-nitrophenyl)carbamate 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 Methyl N-(3-nitrophenyl)carbamate?
The CAS number of Methyl N-(3-nitrophenyl)carbamate is 2189-61-9.
What is the molecular formula of Methyl N-(3-nitrophenyl)carbamate?
The molecular formula of Methyl N-(3-nitrophenyl)carbamate is C8H8N2O4.
What is the molecular weight of Methyl N-(3-nitrophenyl)carbamate?
The molecular weight of Methyl N-(3-nitrophenyl)carbamate is 196.05 g/mol.
Where can I buy Methyl N-(3-nitrophenyl)carbamate?
You can request a quote for Methyl N-(3-nitrophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(3-nitrophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(3-nitrophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.