1-(3-Chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)thiourea
TL;DR: 1-(3-Chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)thiourea (CAS 701946-32-9) is a chemical compound with molecular formula C13H11ClFN3S and molecular weight 295.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)thiourea
Also Known As: 1-(3-chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)thiourea, [(3-chloro-4-fluorophenyl)amino][(4-methyl(2-pyridyl))amino]methane-1-thione
| Molecular Formula | C13H11ClFN3S |
|---|---|
| Molecular Weight | 295.03 g/mol |
| LogP | 3.99142 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.03464 |
| Heavy Atoms | 19 |
| Complexity | 618.58734 |
Chemical Identifiers
| CAS Number | 701946-32-9 |
|---|---|
| SMILES | CC1=CC(=NC=C1)NC(=S)NC2=CC(=C(C=C2)F)Cl |
Product Overview
1-(3-Chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)thiourea (CAS 701946-32-9), with molecular formula C13H11ClFN3S and molecular weight 295.03 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)thiourea.
Chemical Property Profile of 1-(3-Chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)thiourea
Property Insights of 1-(3-Chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)thiourea
The XLogP value of 3.99142 indicates that 1-(3-Chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)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-(3-Chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)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-(3-Chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)thiourea?
The CAS number of 1-(3-Chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)thiourea is 701946-32-9.
What is the molecular formula of 1-(3-Chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)thiourea?
The molecular formula of 1-(3-Chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)thiourea is C13H11ClFN3S.
What is the molecular weight of 1-(3-Chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)thiourea?
The molecular weight of 1-(3-Chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)thiourea is 295.03 g/mol.
Where can I buy 1-(3-Chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)thiourea?
You can request a quote for 1-(3-Chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-fluorophenyl)-3-(4-methylpyridin-2-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.