3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dicyclohexylurea)
TL;DR: 3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dicyclohexylurea) (CAS 126360-48-3) is a chemical compound with molecular formula C33H52N4O2 and molecular weight 536.409 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dicyclohexyl-3-[3-(dicyclohexylcarbamoylamino)-4-methylphenyl]urea
Also Known As: 3,3'-(4-METHYL-1,3-PHENYLENE)BIS(1,1-DICYCLOHEXYLUREA), 1,1-dicyclohexyl-3-[3-(dicyclohexylcarbamoylamino)-4-methylphenyl]urea, 1,1-dicyclohexyl-3-[5-(dicyclohexylcarbamoylamino)-2-methyl-phenyl]urea
Technical Specifications
| Molecular Formula | C33H52N4O2 |
| Molecular Weight | 536.409 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 536.409 Da |
| Heavy Atoms | 39 |
| Complexity | 730.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=O)N(C2CCCCC2)C3CCCCC3)NC(=O)N(C4CCCCC4)C5CCCCC5 |
| InChIKey | GGOGCAJTYNCKRK-UHFFFAOYSA-N |
Chemical Property Profile of 3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dicyclohexylurea)
Property Insights of 3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dicyclohexylurea)
The XLogP value of 7.9 indicates that 3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dicyclohexylurea) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dicyclohexylurea). Following Lipinski's Rule of Five, 3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dicyclohexylurea) has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dicyclohexylurea)?
The CAS number of 3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dicyclohexylurea) is 126360-48-3.
What is the molecular formula of 3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dicyclohexylurea)?
The molecular formula of 3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dicyclohexylurea) is C33H52N4O2.
What is the molecular weight of 3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dicyclohexylurea)?
The molecular weight of 3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dicyclohexylurea) is 536.409 g/mol.
Where can I buy 3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dicyclohexylurea)?
You can request a quote for 3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dicyclohexylurea) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dicyclohexylurea)?
Yes, CoreyChem provides custom synthesis services for 3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dicyclohexylurea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.