3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene
TL;DR: 3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene (CAS 295364-87-3) 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-(2-methyl-6-nitrophenyl)carbamate
Also Known As: ethyl N-(2-methyl-6-nitrophenyl)carbamate, Ethyl (2-methyl-6-nitrophenyl)carbamate, 3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene
| 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 | 295364-87-3 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C |
Product Overview
3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene (CAS 295364-87-3), with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol. IUPAC: ethyl N-(2-methyl-6-nitrophenyl)carbamate.
Chemical Property Profile of 3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene
Property Insights of 3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene
The XLogP value of 2.47162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene. Following Lipinski's Rule of Five, 3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene 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 3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene?
The CAS number of 3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene is 295364-87-3.
What is the molecular formula of 3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene?
The molecular formula of 3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene is C10H12N2O4.
What is the molecular weight of 3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene?
The molecular weight of 3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene is 224.08 g/mol.
Where can I buy 3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene?
You can request a quote for 3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-(ethoxycarbonylamino)1-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.