1,1'-(4-Methyl-1,3-phenylene)bis(3-benzylurea)
TL;DR: 1,1'-(4-Methyl-1,3-phenylene)bis(3-benzylurea) (CAS 61843-92-3) is a chemical compound with molecular formula C23H24N4O2 and molecular weight 388.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[3-(benzylcarbamoylamino)-4-methylphenyl]urea
Also Known As: 1,1'-(4-Methyl-1,3-phenylene)bis(3-benzylurea), 1-benzyl-3-[3-(benzylcarbamoylamino)-4-methylphenyl]urea, N,N'-(4-Methyl-1,3-phenylene)bis(N'-benzylurea), Urea, N,N''-(4-methyl-1,3-phenylene)bis[N'-(phenylmethyl)-, 3,3'-Dibenzyl-1,1'-(4-methyl-1,3-phenylen)-diharnstoff
| Molecular Formula | C23H24N4O2 |
|---|---|
| Molecular Weight | 388.19 g/mol |
| LogP | 4.63842 |
| Topological Polar Surface Area | 82.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.1899 |
| Heavy Atoms | 29 |
| Complexity | 959.1266 |
Chemical Identifiers
| CAS Number | 61843-92-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NCC2=CC=CC=C2)NC(=O)NCC3=CC=CC=C3 |
Product Overview
1,1'-(4-Methyl-1,3-phenylene)bis(3-benzylurea) (CAS 61843-92-3), with molecular formula C23H24N4O2 and molecular weight 388.19 g/mol. IUPAC: 1-benzyl-3-[3-(benzylcarbamoylamino)-4-methylphenyl]urea.
Chemical Property Profile of 1,1'-(4-Methyl-1,3-phenylene)bis(3-benzylurea)
Property Insights of 1,1'-(4-Methyl-1,3-phenylene)bis(3-benzylurea)
The XLogP value of 4.63842 indicates that 1,1'-(4-Methyl-1,3-phenylene)bis(3-benzylurea) 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-benzylurea). Following Lipinski's Rule of Five, 1,1'-(4-Methyl-1,3-phenylene)bis(3-benzylurea) 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-benzylurea)?
The CAS number of 1,1'-(4-Methyl-1,3-phenylene)bis(3-benzylurea) is 61843-92-3.
What is the molecular formula of 1,1'-(4-Methyl-1,3-phenylene)bis(3-benzylurea)?
The molecular formula of 1,1'-(4-Methyl-1,3-phenylene)bis(3-benzylurea) is C23H24N4O2.
What is the molecular weight of 1,1'-(4-Methyl-1,3-phenylene)bis(3-benzylurea)?
The molecular weight of 1,1'-(4-Methyl-1,3-phenylene)bis(3-benzylurea) is 388.19 g/mol.
Where can I buy 1,1'-(4-Methyl-1,3-phenylene)bis(3-benzylurea)?
You can request a quote for 1,1'-(4-Methyl-1,3-phenylene)bis(3-benzylurea) 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-benzylurea)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(4-Methyl-1,3-phenylene)bis(3-benzylurea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.