1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea
TL;DR: 1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea (CAS 959-65-9) is a chemical compound with molecular formula C12H9ClFN3O and molecular weight 265.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-2-pyridinyl)-3-(4-fluorophenyl)urea
Also Known As: 1-(5-chloropyridin-2-yl)-3-(4-fluorophenyl)urea, 3-(5-CHLOROPYRIDIN-2-YL)-1-(4-FLUOROPHENYL)UREA, A2113/0088730, [(5-chloro(2-pyridyl))amino]-N-(4-fluorophenyl)carboxamide, Cambridge id 6037269
| Molecular Formula | C12H9ClFN3O |
|---|---|
| Molecular Weight | 265.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.0418 |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 959-65-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NC2=NC=C(C=C2)Cl)F |
| InChIKey | ZGMYXIGTYUMVLR-UHFFFAOYSA-N |
Product Overview
1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea (CAS 959-65-9), with molecular formula C12H9ClFN3O and molecular weight 265.04 g/mol. IUPAC: 1-(5-chloro-2-pyridinyl)-3-(4-fluorophenyl)urea.
Chemical Property Profile of 1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea
Property Insights of 1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea. With a topological polar surface area (TPSA) of 54.0 Ų, 1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea 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 1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea?
The CAS number of 1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea is 959-65-9.
What is the molecular formula of 1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea?
The molecular formula of 1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea is C12H9ClFN3O.
What is the molecular weight of 1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea?
The molecular weight of 1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea is 265.04 g/mol.
Where can I buy 1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea?
You can request a quote for 1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea 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-(4-fluorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.