![Benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethylcarbamate structure](/static/products/3003/300381-56-0.webp)
Benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethylcarbamate
TL;DR: Benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethylcarbamate (CAS 300381-56-0) is a chemical compound with molecular formula C17H15Cl3IN3O2S and molecular weight 556.90 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-[(4-iodophenyl)carbamothioylamino]ethyl]carbamate
Also Known As: BAS 00113831, benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethylcarbamate, Benzyl (2,2,2-trichloro-1-(3-(4-iodophenyl)thioureido)ethyl)carbamate, Benzyl(2,2,2-trichloro-1-(3-(4-iodophenyl)thioureido)ethyl)carbamate, benzyl N-[2,2,2-trichloro-1-[(4-iodophenyl)carbamothioylamino]ethyl]carbamate
| Molecular Formula | C17H15Cl3IN3O2S |
|---|---|
| Molecular Weight | 556.90 g/mol |
| LogP | 5.2003 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 556.89954 |
| Heavy Atoms | 27 |
| Complexity | 773.24316 |
Chemical Identifiers
| CAS Number | 300381-56-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)I |
Product Overview
Benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethylcarbamate (CAS 300381-56-0), with molecular formula C17H15Cl3IN3O2S and molecular weight 556.90 g/mol. IUPAC: benzyl N-[2,2,2-trichloro-1-[(4-iodophenyl)carbamothioylamino]ethyl]carbamate.
Chemical Property Profile of Benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethylcarbamate
Property Insights of Benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethylcarbamate
The XLogP value of 5.2003 indicates that Benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)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 Benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethylcarbamate. Following Lipinski's Rule of Five, Benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethylcarbamate 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 2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethylcarbamate?
The CAS number of Benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethylcarbamate is 300381-56-0.
What is the molecular formula of Benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethylcarbamate?
The molecular formula of Benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethylcarbamate is C17H15Cl3IN3O2S.
What is the molecular weight of Benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethylcarbamate?
The molecular weight of Benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethylcarbamate is 556.90 g/mol.
Where can I buy Benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethylcarbamate?
You can request a quote for Benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)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 Benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.