1-(3-Chlorophenyl)-3-(pyridin-4-ylmethyl)urea
TL;DR: 1-(3-Chlorophenyl)-3-(pyridin-4-ylmethyl)urea (CAS 66517-46-2) 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-4-ylmethyl)urea
Also Known As: 1-(3-chlorophenyl)-3-(pyridin-4-ylmethyl)urea, N-(3-chlorophenyl)-N'-(4-pyridinylmethyl)urea, AI-204/31696009, N-(3-CHLOROPHENYL)-N'-(4-PYRIDYLMETHYL)UREA, [(3-chlorophenyl)amino]-N-(4-pyridylmethyl)carboxamide
| Molecular Formula | C13H12ClN3O |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 3.0567 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.0669 |
| Heavy Atoms | 18 |
| Complexity | 530.7694 |
Chemical Identifiers
| CAS Number | 66517-46-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)NCC2=CC=NC=C2 |
Product Overview
1-(3-Chlorophenyl)-3-(pyridin-4-ylmethyl)urea (CAS 66517-46-2), with molecular formula C13H12ClN3O and molecular weight 261.07 g/mol. IUPAC: 1-(3-chlorophenyl)-3-(pyridin-4-ylmethyl)urea.
Chemical Property Profile of 1-(3-Chlorophenyl)-3-(pyridin-4-ylmethyl)urea
Property Insights of 1-(3-Chlorophenyl)-3-(pyridin-4-ylmethyl)urea
The XLogP value of 3.0567 indicates that 1-(3-Chlorophenyl)-3-(pyridin-4-ylmethyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, 1-(3-Chlorophenyl)-3-(pyridin-4-ylmethyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-3-(pyridin-4-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-4-ylmethyl)urea?
The CAS number of 1-(3-Chlorophenyl)-3-(pyridin-4-ylmethyl)urea is 66517-46-2.
What is the molecular formula of 1-(3-Chlorophenyl)-3-(pyridin-4-ylmethyl)urea?
The molecular formula of 1-(3-Chlorophenyl)-3-(pyridin-4-ylmethyl)urea is C13H12ClN3O.
What is the molecular weight of 1-(3-Chlorophenyl)-3-(pyridin-4-ylmethyl)urea?
The molecular weight of 1-(3-Chlorophenyl)-3-(pyridin-4-ylmethyl)urea is 261.07 g/mol.
Where can I buy 1-(3-Chlorophenyl)-3-(pyridin-4-ylmethyl)urea?
You can request a quote for 1-(3-Chlorophenyl)-3-(pyridin-4-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-4-ylmethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-3-(pyridin-4-ylmethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.