Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate
TL;DR: Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate (CAS 406915-61-5) is a chemical compound with molecular formula C12H13BrCl3N3O2S and molecular weight 446.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[1-[(2-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]carbamate
Also Known As: ethyl [1-({[(2-bromophenyl)amino]carbonothioyl}amino)-2,2,2-trichloroethyl]carbamate, Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate, ethyl 1-{[(2-bromoanilino)carbothioyl]amino}-2,2,2-trichloroethylcarbamate, ethyl N-[1-[(2-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]carbamate, 655-315-1
| Molecular Formula | C12H13BrCl3N3O2S |
|---|---|
| Molecular Weight | 446.90 g/mol |
| LogP | 4.1779 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.89774 |
| Heavy Atoms | 22 |
| Complexity | 542.5929 |
Chemical Identifiers
| CAS Number | 406915-61-5 |
|---|---|
| SMILES | CCOC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1Br |
Product Overview
Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate (CAS 406915-61-5), with molecular formula C12H13BrCl3N3O2S and molecular weight 446.90 g/mol. IUPAC: ethyl N-[1-[(2-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]carbamate.
Chemical Property Profile of Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate
Property Insights of Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate
The XLogP value of 4.1779 indicates that Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate. Following Lipinski's Rule of Five, Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate has 3 hydrogen bond donor(s) and 3 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 Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate?
The CAS number of Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate is 406915-61-5.
What is the molecular formula of Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate?
The molecular formula of Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate is C12H13BrCl3N3O2S.
What is the molecular weight of Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate?
The molecular weight of Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate is 446.90 g/mol.
Where can I buy Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate?
You can request a quote for Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(((2-bromoanilino)carbothioyl)amino)-2,2,2-trichloroethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.