Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate
TL;DR: Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate (CAS 303061-91-8) is a chemical compound with molecular formula C14H18Cl3N3O3S and molecular weight 413.01 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-[(4-ethoxyphenyl)carbamothioylamino]ethyl]carbamate
Also Known As: ethyl [2,2,2-trichloro-1-({[(4-ethoxyphenyl)amino]carbonothioyl}amino)ethyl]carbamate, ETHYL 2,2,2-TRICHLORO-1-(((4-ETHOXYANILINO)CARBOTHIOYL)AMINO)ETHYLCARBAMATE, ethyl N-[2,2,2-trichloro-1-[(4-ethoxyphenyl)carbamothioylamino]ethyl]carbamate, 661-887-3, RefChem:593398
| Molecular Formula | C14H18Cl3N3O3S |
|---|---|
| Molecular Weight | 413.01 g/mol |
| LogP | 3.8141 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.01346 |
| Heavy Atoms | 24 |
| Complexity | 552.4359 |
Chemical Identifiers
| CAS Number | 303061-91-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)OCC |
Product Overview
Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate (CAS 303061-91-8), with molecular formula C14H18Cl3N3O3S and molecular weight 413.01 g/mol. IUPAC: ethyl N-[2,2,2-trichloro-1-[(4-ethoxyphenyl)carbamothioylamino]ethyl]carbamate.
Chemical Property Profile of Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate
Property Insights of Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate
The XLogP value of 3.8141 indicates that Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate. Following Lipinski's Rule of Five, Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate has 3 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 Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate?
The CAS number of Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate is 303061-91-8.
What is the molecular formula of Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate?
The molecular formula of Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate is C14H18Cl3N3O3S.
What is the molecular weight of Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate?
The molecular weight of Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate is 413.01 g/mol.
Where can I buy Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate?
You can request a quote for Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)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-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.