3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯
TL;DR: 3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯 (CAS 14572-53-3) is a chemical compound with molecular formula C11H11Cl3N2O4 and molecular weight 339.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯
(3,4,6-trichloro-2-nitrophenyl) N-butylcarbamate
Also Known As: 3,4,6-Trichloro-2-nitrophenyl N-butylcarbamate, Phenol, 6-nitro-2,4,5-trichloro-, butylcarbamate, Phenol,4,5-trichloro-, butylcarbamate, 3,4,6-trichloro-2-nitrophenylbutylcarbamate, 6-Nitro-2,4,6-trichlorophenol butylcarbamate
| Molecular Formula | C11H11Cl3N2O4 |
|---|---|
| Molecular Weight | 339.98 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.97845 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 14572-53-3 |
|---|---|
| SMILES | CCCCNC(=O)OC1=C(C(=C(C=C1Cl)Cl)Cl)[N+](=O)[O-] |
| InChIKey | GUAGVYQTSIEQQY-UHFFFAOYSA-N |
Product Overview
3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯 (CAS 14572-53-3), with molecular formula C11H11Cl3N2O4 and molecular weight 339.98 g/mol. IUPAC: (3,4,6-trichloro-2-nitrophenyl) N-butylcarbamate.
Chemical Property Profile of 3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯
Property Insights of 3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯
The XLogP value of 4.5 indicates that 3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯. Following Lipinski's Rule of Five, 3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯 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 3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯?
The CAS number of 3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯 is 14572-53-3.
What is the molecular formula of 3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯?
The molecular formula of 3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯 is C11H11Cl3N2O4.
What is the molecular weight of 3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯?
The molecular weight of 3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯 is 339.98 g/mol.
Where can I buy 3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯?
You can request a quote for 3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3,4,6-三氯-2-硝基苯基正丁基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.