(4-Methyl-2-nitro-phenyl)-carbamic acid ethyl ester
TL;DR: (4-Methyl-2-nitro-phenyl)-carbamic acid ethyl ester (CAS 100664-00-4) is a chemical compound with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(4-methyl-2-nitrophenyl)carbamate
Also Known As: ethyl N-(4-methyl-2-nitrophenyl)carbamate, (4-methyl-2-nitro-phenyl)-carbamic acid ethyl ester, 2-Methyl-3-(2-oxo-octyl)-[1,4]naphthoquinone, 2-Methyl-3-(2-oxo-pentyl)-[1,4]naphthoquinone, (4-Methyl-2-nitrophenyl)-carbamic acid ethyl ester
| Molecular Formula | C10H12N2O4 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 2.47162 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.07971 |
| Heavy Atoms | 16 |
| Complexity | 417.2801 |
Chemical Identifiers
| CAS Number | 100664-00-4 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C=C(C=C1)C)[N+](=O)[O-] |
Product Overview
(4-Methyl-2-nitro-phenyl)-carbamic acid ethyl ester (CAS 100664-00-4), with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol. IUPAC: ethyl N-(4-methyl-2-nitrophenyl)carbamate.
Chemical Property Profile of (4-Methyl-2-nitro-phenyl)-carbamic acid ethyl ester
Property Insights of (4-Methyl-2-nitro-phenyl)-carbamic acid ethyl ester
The XLogP value of 2.47162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methyl-2-nitro-phenyl)-carbamic acid ethyl ester. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methyl-2-nitro-phenyl)-carbamic acid ethyl ester. Following Lipinski's Rule of Five, (4-Methyl-2-nitro-phenyl)-carbamic acid ethyl ester 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 (4-Methyl-2-nitro-phenyl)-carbamic acid ethyl ester?
The CAS number of (4-Methyl-2-nitro-phenyl)-carbamic acid ethyl ester is 100664-00-4.
What is the molecular formula of (4-Methyl-2-nitro-phenyl)-carbamic acid ethyl ester?
The molecular formula of (4-Methyl-2-nitro-phenyl)-carbamic acid ethyl ester is C10H12N2O4.
What is the molecular weight of (4-Methyl-2-nitro-phenyl)-carbamic acid ethyl ester?
The molecular weight of (4-Methyl-2-nitro-phenyl)-carbamic acid ethyl ester is 224.08 g/mol.
Where can I buy (4-Methyl-2-nitro-phenyl)-carbamic acid ethyl ester?
You can request a quote for (4-Methyl-2-nitro-phenyl)-carbamic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methyl-2-nitro-phenyl)-carbamic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (4-Methyl-2-nitro-phenyl)-carbamic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.