![benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate structure](/static/products/3003/300381-50-4.webp)
benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate
TL;DR: benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate (CAS 300381-50-4) is a chemical compound with molecular formula C17H15Cl4N3O2S and molecular weight 464.96 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-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate
Also Known As: BAS 00113824, {2,2,2-Trichloro-1-[3-(3-chloro-phenyl)-thioureido]-ethyl}-carbamic acid benzyl ester, benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate, Benzyl (2,2,2-trichloro-1-(3-(3-chlorophenyl)thioureido)ethyl)carbamate, Benzyl(2,2,2-trichloro-1-(3-(3-chlorophenyl)thioureido)ethyl)carbamate
| Molecular Formula | C17H15Cl4N3O2S |
|---|---|
| Molecular Weight | 464.96 g/mol |
| LogP | 5.2491 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.9639 |
| Heavy Atoms | 27 |
| Complexity | 787.24805 |
Chemical Identifiers
| CAS Number | 300381-50-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC(=CC=C2)Cl |
Product Overview
benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate (CAS 300381-50-4), with molecular formula C17H15Cl4N3O2S and molecular weight 464.96 g/mol. IUPAC: benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate.
Chemical Property Profile of benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate
Property Insights of benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate
The XLogP value of 5.2491 indicates that benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate 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 N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate. Following Lipinski's Rule of Five, benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate?
The CAS number of benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate is 300381-50-4.
What is the molecular formula of benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate?
The molecular formula of benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate is C17H15Cl4N3O2S.
What is the molecular weight of benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate?
The molecular weight of benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate is 464.96 g/mol.
Where can I buy benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate?
You can request a quote for benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-[2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.