![[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate structure](/static/products/3384/338412-89-8.webp)
[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate
TL;DR: [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate (CAS 338412-89-8) is a chemical compound with molecular formula C17H15ClF3N5O2S and molecular weight 445.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate
Also Known As: [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate, N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-((E)-{methyl[(4-toluidinocarbonyl)oxy]amino}methylidene)thiourea
| Molecular Formula | C17H15ClF3N5O2S |
|---|---|
| Molecular Weight | 445.06 g/mol |
| LogP | 4.88282 |
| Topological Polar Surface Area | 78.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.05872 |
| Heavy Atoms | 29 |
| Complexity | 922.27466 |
Chemical Identifiers
| CAS Number | 338412-89-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)ON(C)C=NC(=S)NC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate (CAS 338412-89-8), with molecular formula C17H15ClF3N5O2S and molecular weight 445.06 g/mol. IUPAC: [[3-chloro-5-(trifluoromethyl)-2-pyridinyl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate.
Chemical Property Profile of [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate
Property Insights of [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate
The XLogP value of 4.88282 indicates that [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.85 Ų falls within the moderate polarity range, balancing permeability and solubility for [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate. Following Lipinski's Rule of Five, [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate has 2 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 [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate?
The CAS number of [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate is 338412-89-8.
What is the molecular formula of [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate?
The molecular formula of [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate is C17H15ClF3N5O2S.
What is the molecular weight of [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate?
The molecular weight of [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate is 445.06 g/mol.
Where can I buy [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate?
You can request a quote for [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyliminomethyl-methylamino] N-(4-methylphenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.