3,4,6-Trichloro-2-nitrophenyl n-butylcarbamate
TL;DR: 3,4,6-Trichloro-2-nitrophenyl n-butylcarbamate (CAS 14572-53-3) is a chemical compound with molecular formula C11H11Cl3N2O4 and molecular weight 339.97845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(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
Technical Specifications
| Molecular Formula | C11H11Cl3N2O4 |
| Molecular Weight | 339.97845 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.97845 Da |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
| SMILES | CCCCNC(=O)OC1=C(C(=C(C=C1Cl)Cl)Cl)[N+](=O)[O-] |
| InChIKey | GUAGVYQTSIEQQY-UHFFFAOYSA-N |
Chemical Property Profile of 3,4,6-Trichloro-2-nitrophenyl n-butylcarbamate
Property Insights of 3,4,6-Trichloro-2-nitrophenyl n-butylcarbamate
The XLogP value of 4.5 indicates that 3,4,6-Trichloro-2-nitrophenyl n-butylcarbamate 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-Trichloro-2-nitrophenyl n-butylcarbamate. Following Lipinski's Rule of Five, 3,4,6-Trichloro-2-nitrophenyl n-butylcarbamate 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
What is the CAS number of 3,4,6-Trichloro-2-nitrophenyl n-butylcarbamate?
The CAS number of 3,4,6-Trichloro-2-nitrophenyl n-butylcarbamate is 14572-53-3.
What is the molecular formula of 3,4,6-Trichloro-2-nitrophenyl n-butylcarbamate?
The molecular formula of 3,4,6-Trichloro-2-nitrophenyl n-butylcarbamate is C11H11Cl3N2O4.
What is the molecular weight of 3,4,6-Trichloro-2-nitrophenyl n-butylcarbamate?
The molecular weight of 3,4,6-Trichloro-2-nitrophenyl n-butylcarbamate is 339.97845 g/mol.
Where can I buy 3,4,6-Trichloro-2-nitrophenyl n-butylcarbamate?
You can request a quote for 3,4,6-Trichloro-2-nitrophenyl n-butylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4,6-Trichloro-2-nitrophenyl n-butylcarbamate?
Yes, CoreyChem provides custom synthesis services for 3,4,6-Trichloro-2-nitrophenyl n-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.