Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)-
TL;DR: Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)- (CAS 102433-36-3) is a chemical compound with molecular formula C11H12ClN3O and molecular weight 237.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[cyano(phenyl)methyl]urea
Also Known As: 1(2-Chloroethyl)-3-(alpha-cyanobenzyl)urea, Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)-, 1-(2-chloroethyl)-3-[cyano(phenyl)methyl]urea, 1-(2-Chloroethyl)-3-(alpha-cyanobenzyl)urea, 3-(2-CHLOROETHYL)-1-[CYANO(PHENYL)METHYL]UREA
| Molecular Formula | C11H12ClN3O |
|---|---|
| Molecular Weight | 237.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.0669 |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 102433-36-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)NC(=O)NCCCl |
| InChIKey | OOFLZNYWYLBUQX-UHFFFAOYSA-N |
Product Overview
Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)- (CAS 102433-36-3), with molecular formula C11H12ClN3O and molecular weight 237.07 g/mol. IUPAC: 1-(2-chloroethyl)-3-[cyano(phenyl)methyl]urea.
Chemical Property Profile of Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)-
Property Insights of Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)-. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)-. Following Lipinski's Rule of Five, Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)- 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 Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)-?
The CAS number of Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)- is 102433-36-3.
What is the molecular formula of Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)-?
The molecular formula of Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)- is C11H12ClN3O.
What is the molecular weight of Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)-?
The molecular weight of Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)- is 237.07 g/mol.
Where can I buy Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)-?
You can request a quote for Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(2-chloroethyl)-3-(alpha-cyanobenzyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.