2,4-二硝基苯胺基甲酸乙酯
TL;DR: 2,4-二硝基苯胺基甲酸乙酯 (CAS 35411-68-8) is a chemical compound with molecular formula C9H9N3O6 and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-二硝基苯胺基甲酸乙酯
ethyl N-(2,4-dinitrophenyl)carbamate
Also Known As: Ethyl N-(2,4-dinitrophenyl)carbamate, Ethyl 2,4-dinitrocarbanilate, 2,4-Dinitro carbanilic acid ethyl ester, CARBANILIC ACID, 2,4-DINITRO-, ETHYL ESTER, ethyl (2,4-dinitrophenyl)carbamate
| Molecular Formula | C9H9N3O6 |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.04913 |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 35411-68-8 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DTOSWNOZWVEWSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-二硝基苯胺基甲酸乙酯 (CAS 35411-68-8), with molecular formula C9H9N3O6 and molecular weight 255.05 g/mol. IUPAC: ethyl N-(2,4-dinitrophenyl)carbamate.
Chemical Property Profile of 2,4-二硝基苯胺基甲酸乙酯
Property Insights of 2,4-二硝基苯胺基甲酸乙酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-二硝基苯胺基甲酸乙酯. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-二硝基苯胺基甲酸乙酯. Following Lipinski's Rule of Five, 2,4-二硝基苯胺基甲酸乙酯 has 1 hydrogen bond donor(s) and 6 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 2,4-二硝基苯胺基甲酸乙酯?
The CAS number of 2,4-二硝基苯胺基甲酸乙酯 is 35411-68-8.
What is the molecular formula of 2,4-二硝基苯胺基甲酸乙酯?
The molecular formula of 2,4-二硝基苯胺基甲酸乙酯 is C9H9N3O6.
What is the molecular weight of 2,4-二硝基苯胺基甲酸乙酯?
The molecular weight of 2,4-二硝基苯胺基甲酸乙酯 is 255.05 g/mol.
Where can I buy 2,4-二硝基苯胺基甲酸乙酯?
You can request a quote for 2,4-二硝基苯胺基甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-二硝基苯胺基甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2,4-二硝基苯胺基甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.