2-Methoxy-n-methyl-5-nitroaniline
TL;DR: 2-Methoxy-n-methyl-5-nitroaniline (CAS 199594-65-5) is a chemical compound with molecular formula C8H10N2O3 and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-N-methyl-5-nitroaniline
Also Known As: 2-methoxy-n-methyl-5-nitroaniline, NCIOpen2_002211, 2-methylamino-4-nitroanisole, N-methyl-2-methoxy-5-nitroaniline, 2-Amino-4-nitrophenol, N,O-bis(methyl)-
| Molecular Formula | C8H10N2O3 |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.06914 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 199594-65-5 |
|---|---|
| SMILES | CNC1=C(C=CC(=C1)[N+](=O)[O-])OC |
| InChIKey | NYXQGPQZKJOXJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxy-n-methyl-5-nitroaniline (CAS 199594-65-5), with molecular formula C8H10N2O3 and molecular weight 182.07 g/mol. IUPAC: 2-methoxy-N-methyl-5-nitroaniline.
Chemical Property Profile of 2-Methoxy-n-methyl-5-nitroaniline
Property Insights of 2-Methoxy-n-methyl-5-nitroaniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-n-methyl-5-nitroaniline. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxy-n-methyl-5-nitroaniline. Following Lipinski's Rule of Five, 2-Methoxy-n-methyl-5-nitroaniline 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-Methoxy-n-methyl-5-nitroaniline?
The CAS number of 2-Methoxy-n-methyl-5-nitroaniline is 199594-65-5.
What is the molecular formula of 2-Methoxy-n-methyl-5-nitroaniline?
The molecular formula of 2-Methoxy-n-methyl-5-nitroaniline is C8H10N2O3.
What is the molecular weight of 2-Methoxy-n-methyl-5-nitroaniline?
The molecular weight of 2-Methoxy-n-methyl-5-nitroaniline is 182.07 g/mol.
Where can I buy 2-Methoxy-n-methyl-5-nitroaniline?
You can request a quote for 2-Methoxy-n-methyl-5-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-n-methyl-5-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-n-methyl-5-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.