N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea
TL;DR: N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea (CAS 6677-68-5) 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-(4-chloro-2-cyanophenyl)-3-propan-2-ylurea
Also Known As: N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea, 1-(4-chloro-2-cyanophenyl)-3-propan-2-ylurea, 1-(4-chloro-2-cyanophenyl)-3-(propan-2-yl)urea, 3-(4-chloro-2-cyano-phenyl)-1-propan-2-yl-urea, 1-(4-CHLORO-2-CYANOPHENYL)-3-ISOPROPYLUREA
| Molecular Formula | C11H12ClN3O |
|---|---|
| Molecular Weight | 237.07 g/mol |
| LogP | 2.74158 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.0669 |
| Heavy Atoms | 16 |
| Complexity | 437.34607 |
Chemical Identifiers
| CAS Number | 6677-68-5 |
|---|---|
| SMILES | CC(C)NC(=O)NC1=C(C=C(C=C1)Cl)C#N |
Product Overview
N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea (CAS 6677-68-5), with molecular formula C11H12ClN3O and molecular weight 237.07 g/mol. IUPAC: 1-(4-chloro-2-cyanophenyl)-3-propan-2-ylurea.
Chemical Property Profile of N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea
Property Insights of N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea
The XLogP value of 2.74158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea. Following Lipinski's Rule of Five, N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea 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 N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea?
The CAS number of N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea is 6677-68-5.
What is the molecular formula of N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea?
The molecular formula of N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea is C11H12ClN3O.
What is the molecular weight of N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea?
The molecular weight of N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea is 237.07 g/mol.
Where can I buy N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea?
You can request a quote for N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chloro-2-cyanophenyl)-N'-propan-2-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.