1-(5-Chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea
TL;DR: 1-(5-Chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea (CAS 706775-08-8) is a chemical compound with molecular formula C12H8ClF2N3S and molecular weight 299.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-2-pyridinyl)-3-(2,4-difluorophenyl)thiourea
Also Known As: 1-(5-chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea, [(2,4-difluorophenyl)amino][(5-chloro(2-pyridyl))amino]methane-1-thione
| Molecular Formula | C12H8ClF2N3S |
|---|---|
| Molecular Weight | 299.01 g/mol |
| LogP | 3.8221 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.00955 |
| Heavy Atoms | 19 |
| Complexity | 604.4235 |
Chemical Identifiers
| CAS Number | 706775-08-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)F)NC(=S)NC2=NC=C(C=C2)Cl |
Product Overview
1-(5-Chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea (CAS 706775-08-8), with molecular formula C12H8ClF2N3S and molecular weight 299.01 g/mol. IUPAC: 1-(5-chloro-2-pyridinyl)-3-(2,4-difluorophenyl)thiourea.
Chemical Property Profile of 1-(5-Chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea
Property Insights of 1-(5-Chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea
The XLogP value of 3.8221 indicates that 1-(5-Chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.95 Ų, 1-(5-Chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea has 2 hydrogen bond donor(s) and 2 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 1-(5-Chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea?
The CAS number of 1-(5-Chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea is 706775-08-8.
What is the molecular formula of 1-(5-Chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea?
The molecular formula of 1-(5-Chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea is C12H8ClF2N3S.
What is the molecular weight of 1-(5-Chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea?
The molecular weight of 1-(5-Chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea is 299.01 g/mol.
Where can I buy 1-(5-Chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea?
You can request a quote for 1-(5-Chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Chloropyridin-2-yl)-3-(2,4-difluorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.