Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)-
TL;DR: Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)- (CAS 73953-60-3) is a chemical compound with molecular formula C13H13ClN4O and molecular weight 276.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1,1-bis(2-cyanoethyl)urea
Also Known As: 3-(p-Chlorophenyl)-1,1-bis(2-cyanoethyl)urea, Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)-, 3-(4-chlorophenyl)-1,1-bis(2-cyanoethyl)urea, 1,1-Bis(2-cyanoethyl)-3-(p-chlorophenyl)urea, N'-(4-Chlorophenyl)-N,N-bis(2-cyanoethyl)urea
| Molecular Formula | C13H13ClN4O |
|---|---|
| Molecular Weight | 276.08 g/mol |
| LogP | 3.00126 |
| Topological Polar Surface Area | 79.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.0778 |
| Heavy Atoms | 19 |
| Complexity | 482.8599 |
Chemical Identifiers
| CAS Number | 73953-60-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)N(CCC#N)CCC#N)Cl |
Product Overview
Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)- (CAS 73953-60-3), with molecular formula C13H13ClN4O and molecular weight 276.08 g/mol. IUPAC: 3-(4-chlorophenyl)-1,1-bis(2-cyanoethyl)urea.
Chemical Property Profile of Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)-
Property Insights of Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)-
The XLogP value of 3.00126 indicates that Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)-. Following Lipinski's Rule of Five, Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)- 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 Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)-?
The CAS number of Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)- is 73953-60-3.
What is the molecular formula of Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)-?
The molecular formula of Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)- is C13H13ClN4O.
What is the molecular weight of Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)-?
The molecular weight of Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)- is 276.08 g/mol.
Where can I buy Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)-?
You can request a quote for Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1,1-bis(2-cyanoethyl)-3-(p-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.