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Benzyl 1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethylcarbamate
TL;DR: Benzyl 1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethylcarbamate (CAS 202132-16-9) is a chemical compound with molecular formula C17H16Cl3N3O2S and molecular weight 431.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]carbamate
Also Known As: benzyl N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]carbamate, Benzyl (2,2,2-trichloro-1-(3-phenylthioureido)ethyl)carbamate, Benzyl(2,2,2-trichloro-1-(3-phenylthioureido)ethyl)carbamate, benzyl 1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethylcarbamate, Benzyl N-[2,2,2-trichloro-1-(phenylthiocarbamoylamino)ethyl]carbamate
| Molecular Formula | C17H16Cl3N3O2S |
|---|---|
| Molecular Weight | 431.00 g/mol |
| LogP | 4.5957 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.00287 |
| Heavy Atoms | 26 |
| Complexity | 727.0379 |
Chemical Identifiers
| CAS Number | 202132-16-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=C2 |
Product Overview
Benzyl 1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethylcarbamate (CAS 202132-16-9), with molecular formula C17H16Cl3N3O2S and molecular weight 431.00 g/mol. IUPAC: benzyl N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]carbamate.
Chemical Property Profile of Benzyl 1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethylcarbamate
Property Insights of Benzyl 1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethylcarbamate
The XLogP value of 4.5957 indicates that Benzyl 1-[(anilinocarbothioyl)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 Benzyl 1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethylcarbamate. Following Lipinski's Rule of Five, Benzyl 1-[(anilinocarbothioyl)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 Benzyl 1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethylcarbamate?
The CAS number of Benzyl 1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethylcarbamate is 202132-16-9.
What is the molecular formula of Benzyl 1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethylcarbamate?
The molecular formula of Benzyl 1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethylcarbamate is C17H16Cl3N3O2S.
What is the molecular weight of Benzyl 1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethylcarbamate?
The molecular weight of Benzyl 1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethylcarbamate is 431.00 g/mol.
Where can I buy Benzyl 1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethylcarbamate?
You can request a quote for Benzyl 1-[(anilinocarbothioyl)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 Benzyl 1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.