Ethyl 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate
TL;DR: Ethyl 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate (CAS 406915-63-7) is a chemical compound with molecular formula C12H12Cl5N3O2S and molecular weight 436.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2,2,2-trichloro-1-[(2,5-dichlorophenyl)carbamothioylamino]ethyl]carbamate
Also Known As: ethyl 2,2,2-trichloro-1-{[(2,5-dichloroanilino)carbothioyl]amino}ethylcarbamate, AF-399/41669309, ethyl N-[2,2,2-trichloro-1-[(2,5-dichlorophenyl)carbamothioylamino]ethyl]carbamate, Ethyl 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate, 655-659-2
| Molecular Formula | C12H12Cl5N3O2S |
|---|---|
| Molecular Weight | 436.91 g/mol |
| LogP | 4.7222 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.90927 |
| Heavy Atoms | 23 |
| Complexity | 582.3049 |
Chemical Identifiers
| CAS Number | 406915-63-7 |
|---|---|
| SMILES | CCOC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=C(C=CC(=C1)Cl)Cl |
Product Overview
Ethyl 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate (CAS 406915-63-7), with molecular formula C12H12Cl5N3O2S and molecular weight 436.91 g/mol. IUPAC: ethyl N-[2,2,2-trichloro-1-[(2,5-dichlorophenyl)carbamothioylamino]ethyl]carbamate.
Chemical Property Profile of Ethyl 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate
Property Insights of Ethyl 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate
The XLogP value of 4.7222 indicates that Ethyl 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate 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 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate. Following Lipinski's Rule of Five, Ethyl 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate 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 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate?
The CAS number of Ethyl 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate is 406915-63-7.
What is the molecular formula of Ethyl 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate?
The molecular formula of Ethyl 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate is C12H12Cl5N3O2S.
What is the molecular weight of Ethyl 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate?
The molecular weight of Ethyl 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate is 436.91 g/mol.
Where can I buy Ethyl 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate?
You can request a quote for Ethyl 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.