1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea)
TL;DR: 1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea) (CAS 200416-59-7) is a chemical compound with molecular formula C23H18N6O2 and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-cyanophenyl)-3-[3-[(4-cyanophenyl)carbamoylamino]-4-methylphenyl]urea
Also Known As: 1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea), 1-(4-cyanophenyl)-3-(3-{[(4-cyanophenyl)carbamoyl]amino}-4-methylphenyl)urea, 1-(4-cyanophenyl)-3-[3-[(4-cyanophenyl)carbamoylamino]-4-methylphenyl]urea, 3-(4-cyanophenyl)-1-[5-[(4-cyanophenyl)carbamoylamino]-2-methyl-phenyl]urea
| Molecular Formula | C23H18N6O2 |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 5.02638 |
| Topological Polar Surface Area | 129.84 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.1491 |
| Heavy Atoms | 31 |
| Complexity | 1188.7217 |
Chemical Identifiers
| CAS Number | 200416-59-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)C#N)NC(=O)NC3=CC=C(C=C3)C#N |
Product Overview
1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea) (CAS 200416-59-7), with molecular formula C23H18N6O2 and molecular weight 410.15 g/mol. IUPAC: 1-(4-cyanophenyl)-3-[3-[(4-cyanophenyl)carbamoylamino]-4-methylphenyl]urea.
Chemical Property Profile of 1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea)
Property Insights of 1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea)
The XLogP value of 5.02638 indicates that 1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea). Following Lipinski's Rule of Five, 1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea) has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea)?
The CAS number of 1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea) is 200416-59-7.
What is the molecular formula of 1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea)?
The molecular formula of 1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea) is C23H18N6O2.
What is the molecular weight of 1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea)?
The molecular weight of 1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea) is 410.15 g/mol.
Where can I buy 1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea)?
You can request a quote for 1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(4-Methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.