2-甲氧基-5-硝基苯胺
TL;DR: 2-甲氧基-5-硝基苯胺 (CAS 99-59-2) is a chemical compound with molecular formula C7H8N2O3 and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲氧基-5-硝基苯胺
2-methoxy-5-nitroaniline
Also Known As: 2-Methoxy-5-nitroaniline, 2-Amino-4-nitroanisole, 5-NITRO-O-ANISIDINE, Azoamine Scarlet K, Fast Scarlet R
| Molecular Formula | C7H8N2O3 |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.0535 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
| Melting Point | 117.8 °C |
| Density | 1.2068 at 156.1 °C |
| Solubility | less than 0.1 mg/mL at 67.1 °F (NTP, 1992) |
| Vapor Pressure | 0.000319 [mmHg] |
Chemical Identifiers
| CAS Number | 99-59-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])N |
| InChIKey | NIPDVSLAMPAWTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲氧基-5-硝基苯胺 (CAS 99-59-2), with molecular formula C7H8N2O3 and molecular weight 168.05 g/mol. IUPAC: 2-methoxy-5-nitroaniline.
Chemical Property Profile of 2-甲氧基-5-硝基苯胺
Property Insights of 2-甲氧基-5-硝基苯胺
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲氧基-5-硝基苯胺. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-甲氧基-5-硝基苯胺. Following Lipinski's Rule of Five, 2-甲氧基-5-硝基苯胺 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-甲氧基-5-硝基苯胺?
The CAS number of 2-甲氧基-5-硝基苯胺 is 99-59-2.
What is the molecular formula of 2-甲氧基-5-硝基苯胺?
The molecular formula of 2-甲氧基-5-硝基苯胺 is C7H8N2O3.
What is the molecular weight of 2-甲氧基-5-硝基苯胺?
The molecular weight of 2-甲氧基-5-硝基苯胺 is 168.05 g/mol.
Where can I buy 2-甲氧基-5-硝基苯胺?
You can request a quote for 2-甲氧基-5-硝基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲氧基-5-硝基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 2-甲氧基-5-硝基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.