1,1'-(4-Methyl-1,3-phenylene)bis(3-cyclohexylurea)
TL;DR: 1,1'-(4-Methyl-1,3-phenylene)bis(3-cyclohexylurea) (CAS 100576-78-1) is a chemical compound with molecular formula C21H32N4O2 and molecular weight 372.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-3-[3-(cyclohexylcarbamoylamino)-4-methylphenyl]urea
Also Known As: 1,1'-(4-Methyl-1,3-phenylene)bis(3-cyclohexylurea), 1-cyclohexyl-3-[3-(cyclohexylcarbamoylamino)-4-methylphenyl]urea, 1-cyclohexyl-3-{3-[(cyclohexylcarbamoyl)amino]-4-methylphenyl}urea, (cyclohexylamino)-N-{5-[(cyclohexylamino)carbonylamino]-2-methylphenyl}carboxa mide, N-cyclohexyl({5-[(N-cyclohexylcarbamoyl)amino]-2-methylphenyl}amino)carboxamid e
| Molecular Formula | C21H32N4O2 |
|---|---|
| Molecular Weight | 372.25 g/mol |
| LogP | 4.90342 |
| Topological Polar Surface Area | 82.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.25253 |
| Heavy Atoms | 27 |
| Complexity | 649.5817 |
Chemical Identifiers
| CAS Number | 100576-78-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NC2CCCCC2)NC(=O)NC3CCCCC3 |
Product Overview
1,1'-(4-Methyl-1,3-phenylene)bis(3-cyclohexylurea) (CAS 100576-78-1), with molecular formula C21H32N4O2 and molecular weight 372.25 g/mol. IUPAC: 1-cyclohexyl-3-[3-(cyclohexylcarbamoylamino)-4-methylphenyl]urea.
Chemical Property Profile of 1,1'-(4-Methyl-1,3-phenylene)bis(3-cyclohexylurea)
Property Insights of 1,1'-(4-Methyl-1,3-phenylene)bis(3-cyclohexylurea)
The XLogP value of 4.90342 indicates that 1,1'-(4-Methyl-1,3-phenylene)bis(3-cyclohexylurea) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(4-Methyl-1,3-phenylene)bis(3-cyclohexylurea). Following Lipinski's Rule of Five, 1,1'-(4-Methyl-1,3-phenylene)bis(3-cyclohexylurea) has 4 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 1,1'-(4-Methyl-1,3-phenylene)bis(3-cyclohexylurea)?
The CAS number of 1,1'-(4-Methyl-1,3-phenylene)bis(3-cyclohexylurea) is 100576-78-1.
What is the molecular formula of 1,1'-(4-Methyl-1,3-phenylene)bis(3-cyclohexylurea)?
The molecular formula of 1,1'-(4-Methyl-1,3-phenylene)bis(3-cyclohexylurea) is C21H32N4O2.
What is the molecular weight of 1,1'-(4-Methyl-1,3-phenylene)bis(3-cyclohexylurea)?
The molecular weight of 1,1'-(4-Methyl-1,3-phenylene)bis(3-cyclohexylurea) is 372.25 g/mol.
Where can I buy 1,1'-(4-Methyl-1,3-phenylene)bis(3-cyclohexylurea)?
You can request a quote for 1,1'-(4-Methyl-1,3-phenylene)bis(3-cyclohexylurea) 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-cyclohexylurea)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(4-Methyl-1,3-phenylene)bis(3-cyclohexylurea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.