3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea
TL;DR: 3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea (CAS 289059-74-1) is a chemical compound with molecular formula C16H15ClN4O and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea
Also Known As: 3-(3-chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea, N'-(3-chlorophenyl)-N-(2-cyanoethyl)-N-(3-pyridinylmethyl)urea
| Molecular Formula | C16H15ClN4O |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 3.68278 |
| Topological Polar Surface Area | 69.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.09344 |
| Heavy Atoms | 22 |
| Complexity | 669.34607 |
Chemical Identifiers
| CAS Number | 289059-74-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)N(CCC#N)CC2=CN=CC=C2 |
Product Overview
3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea (CAS 289059-74-1), with molecular formula C16H15ClN4O and molecular weight 314.09 g/mol. IUPAC: 3-(3-chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea.
Chemical Property Profile of 3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea
Property Insights of 3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea
The XLogP value of 3.68278 indicates that 3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea. Following Lipinski's Rule of Five, 3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea has 1 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 3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea?
The CAS number of 3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea is 289059-74-1.
What is the molecular formula of 3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea?
The molecular formula of 3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea is C16H15ClN4O.
What is the molecular weight of 3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea?
The molecular weight of 3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea is 314.09 g/mol.
Where can I buy 3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea?
You can request a quote for 3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.