3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1-methylurea
TL;DR: 3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1-methylurea (CAS 91090-02-7) 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.
3-(4-chlorophenyl)-1-(2-cyanoethyl)-1-methylurea
Also Known As: 3-(4-chlorophenyl)-1-(2-cyanoethyl)-1-methylurea, N'-(4-Chlorophenyl)-N-(2-cyanoethyl)-N-methylurea
| Molecular Formula | C11H12ClN3O |
|---|---|
| Molecular Weight | 237.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.0669 |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 91090-02-7 |
|---|---|
| SMILES | CN(CCC#N)C(=O)NC1=CC=C(C=C1)Cl |
| InChIKey | PBMWGXVQBXUFOO-UHFFFAOYSA-N |
Product Overview
3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1-methylurea (CAS 91090-02-7), with molecular formula C11H12ClN3O and molecular weight 237.07 g/mol. IUPAC: 3-(4-chlorophenyl)-1-(2-cyanoethyl)-1-methylurea.
Chemical Property Profile of 3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1-methylurea
Property Insights of 3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1-methylurea
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1-methylurea. With a topological polar surface area (TPSA) of 56.1 Ų, 3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1-methylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1-methylurea has 1 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 3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1-methylurea?
The CAS number of 3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1-methylurea is 91090-02-7.
What is the molecular formula of 3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1-methylurea?
The molecular formula of 3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1-methylurea is C11H12ClN3O.
What is the molecular weight of 3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1-methylurea?
The molecular weight of 3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1-methylurea is 237.07 g/mol.
Where can I buy 3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1-methylurea?
You can request a quote for 3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1-methylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1-methylurea?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1-methylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.