N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯
TL;DR: N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯 (CAS 17508-16-6) is a chemical compound with molecular formula C11H13N3O7 and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯
tert-butyl N-(2,4-dinitrophenoxy)carbamate
Also Known As: tert-butyl N-(2,4-dinitrophenoxy)carbamate, tert-butyl 2,4-dinitrophenoxycarbamate, [Pd(dppp)(PhCN)2](BF4)2, t-butyl 2,4-dinitrophenoxycarbamate, tert-butyl(2,4-dinitrophenoxy)carbamate
| Molecular Formula | C11H13N3O7 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.07535 |
| Heavy Atoms | 21 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 17508-16-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NOC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DTYVDGWQRMBFGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯 (CAS 17508-16-6), with molecular formula C11H13N3O7 and molecular weight 299.08 g/mol. IUPAC: tert-butyl N-(2,4-dinitrophenoxy)carbamate.
Chemical Property Profile of N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯
Property Insights of N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯. Following Lipinski's Rule of Five, N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯 has 1 hydrogen bond donor(s) and 7 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 N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯?
The CAS number of N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯 is 17508-16-6.
What is the molecular formula of N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯?
The molecular formula of N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯 is C11H13N3O7.
What is the molecular weight of N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯?
The molecular weight of N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯 is 299.08 g/mol.
Where can I buy N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯?
You can request a quote for N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-二硝基苯氧基)氨基甲酸叔丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.