Banrot
TL;DR: Banrot (CAS 64491-74-3) is a chemical compound with molecular formula C17H19Cl3N6O5S3 and molecular weight 587.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole;methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate
Also Known As: Banrot, Terrazole mixt. with Thiophanate-methyl, Thiophanate-methyl mixt. with terrazole, Carbamic acid, (1,2-phenylenebis(iminocarbonothioyl))bis-, dimethyl ester, mixt. with 5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole, 5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole; methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate
| Molecular Formula | C17H19Cl3N6O5S3 |
|---|---|
| Molecular Weight | 587.96 g/mol |
| LogP | 4.5557 |
| Topological Polar Surface Area | 135.73 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 587.9645 |
| Heavy Atoms | 34 |
| Complexity | 954.27075 |
Chemical Identifiers
| CAS Number | 64491-74-3 |
|---|---|
| SMILES | CCOC1=NC(=NS1)C(Cl)(Cl)Cl.COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC |
Product Overview
Banrot (CAS 64491-74-3), with molecular formula C17H19Cl3N6O5S3 and molecular weight 587.96 g/mol. IUPAC: 5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole;methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate.
Chemical Property Profile of Banrot
Property Insights of Banrot
The XLogP value of 4.5557 indicates that Banrot is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Banrot. Following Lipinski's Rule of Five, Banrot has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Banrot?
The CAS number of Banrot is 64491-74-3.
What is the molecular formula of Banrot?
The molecular formula of Banrot is C17H19Cl3N6O5S3.
What is the molecular weight of Banrot?
The molecular weight of Banrot is 587.96 g/mol.
Where can I buy Banrot?
You can request a quote for Banrot directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Banrot?
Yes, KEHONG BIO provides custom synthesis services for Banrot and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.