1-(3-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea
TL;DR: 1-(3-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea (CAS 222017-95-0) is a chemical compound with molecular formula C13H12ClN3O and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-(pyridin-2-ylmethyl)urea
Also Known As: 1-(3-chlorophenyl)-3-(pyridin-2-ylmethyl)urea, 1-(2-Pyridylmethyl)-3-(3-chlorophenyl)urea, J1.078.657F, N-(3-chlorophenyl)-N'-(2-pyridinylmethyl)urea, AI-204/31695051
| Molecular Formula | C13H12ClN3O |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.0669 |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 222017-95-0 |
|---|---|
| SMILES | C1=CC=NC(=C1)CNC(=O)NC2=CC(=CC=C2)Cl |
| InChIKey | CONGVSIUCCCFKA-UHFFFAOYSA-N |
Product Overview
1-(3-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea (CAS 222017-95-0), with molecular formula C13H12ClN3O and molecular weight 261.07 g/mol. IUPAC: 1-(3-chlorophenyl)-3-(pyridin-2-ylmethyl)urea.
Chemical Property Profile of 1-(3-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea
Property Insights of 1-(3-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea. With a topological polar surface area (TPSA) of 54.0 Ų, 1-(3-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea 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-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea?
The CAS number of 1-(3-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea is 222017-95-0.
What is the molecular formula of 1-(3-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea?
The molecular formula of 1-(3-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea is C13H12ClN3O.
What is the molecular weight of 1-(3-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea?
The molecular weight of 1-(3-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea is 261.07 g/mol.
Where can I buy 1-(3-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea?
You can request a quote for 1-(3-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.