![N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea structure](/static/products/6464/646456-18-0.webp)
N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea
TL;DR: N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea (CAS 646456-18-0) is a chemical compound with molecular formula C14H8Cl2F3N3OS and molecular weight 392.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dichloro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-4-carboxamide
Also Known As: N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea, 2,6-dichloro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-4-carboxamide, 1-(2,6-dichloropyridine-4-carbonyl)-3-[3-(trifluoromethyl)phenyl]thiourea
| Molecular Formula | C14H8Cl2F3N3OS |
|---|---|
| Molecular Weight | 392.97 g/mol |
| LogP | 4.534 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.9717 |
| Heavy Atoms | 24 |
| Complexity | 778.8244 |
Chemical Identifiers
| CAS Number | 646456-18-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=NC(=C2)Cl)Cl)C(F)(F)F |
Product Overview
N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea (CAS 646456-18-0), with molecular formula C14H8Cl2F3N3OS and molecular weight 392.97 g/mol. IUPAC: 2,6-dichloro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-4-carboxamide.
Chemical Property Profile of N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea
Property Insights of N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea
The XLogP value of 4.534 indicates that N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea has 2 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 N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea?
The CAS number of N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea is 646456-18-0.
What is the molecular formula of N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea?
The molecular formula of N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea is C14H8Cl2F3N3OS.
What is the molecular weight of N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea?
The molecular weight of N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea is 392.97 g/mol.
Where can I buy N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea?
You can request a quote for N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(2,6-dichloroisonicotinoyl)-N'-[3-(trifluoromethyl)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.