1,1'-(4-Methyl-1,3-phenylene)bis(3-isopropylurea)
TL;DR: 1,1'-(4-Methyl-1,3-phenylene)bis(3-isopropylurea) (CAS 77697-42-8) is a chemical compound with molecular formula C15H24N4O2 and molecular weight 292.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-methyl-5-(propan-2-ylcarbamoylamino)phenyl]-3-propan-2-ylurea
Also Known As: 1,1'-(4-Methyl-1,3-phenylene)bis(3-isopropylurea), 1-[2-methyl-5-(propan-2-ylcarbamoylamino)phenyl]-3-propan-2-ylurea, 3-[2-methyl-5-(propan-2-ylcarbamoylamino)phenyl]-1-propan-2-yl-urea, 666-988-6, RefChem:409078
| Molecular Formula | C15H24N4O2 |
|---|---|
| Molecular Weight | 292.19 g/mol |
| LogP | 3.05482 |
| Topological Polar Surface Area | 82.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.1899 |
| Heavy Atoms | 21 |
| Complexity | 512.39514 |
Chemical Identifiers
| CAS Number | 77697-42-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NC(C)C)NC(=O)NC(C)C |
Product Overview
1,1'-(4-Methyl-1,3-phenylene)bis(3-isopropylurea) (CAS 77697-42-8), with molecular formula C15H24N4O2 and molecular weight 292.19 g/mol. IUPAC: 1-[2-methyl-5-(propan-2-ylcarbamoylamino)phenyl]-3-propan-2-ylurea.
Chemical Property Profile of 1,1'-(4-Methyl-1,3-phenylene)bis(3-isopropylurea)
Property Insights of 1,1'-(4-Methyl-1,3-phenylene)bis(3-isopropylurea)
The XLogP value of 3.05482 indicates that 1,1'-(4-Methyl-1,3-phenylene)bis(3-isopropylurea) 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-isopropylurea). Following Lipinski's Rule of Five, 1,1'-(4-Methyl-1,3-phenylene)bis(3-isopropylurea) 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-isopropylurea)?
The CAS number of 1,1'-(4-Methyl-1,3-phenylene)bis(3-isopropylurea) is 77697-42-8.
What is the molecular formula of 1,1'-(4-Methyl-1,3-phenylene)bis(3-isopropylurea)?
The molecular formula of 1,1'-(4-Methyl-1,3-phenylene)bis(3-isopropylurea) is C15H24N4O2.
What is the molecular weight of 1,1'-(4-Methyl-1,3-phenylene)bis(3-isopropylurea)?
The molecular weight of 1,1'-(4-Methyl-1,3-phenylene)bis(3-isopropylurea) is 292.19 g/mol.
Where can I buy 1,1'-(4-Methyl-1,3-phenylene)bis(3-isopropylurea)?
You can request a quote for 1,1'-(4-Methyl-1,3-phenylene)bis(3-isopropylurea) 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-isopropylurea)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(4-Methyl-1,3-phenylene)bis(3-isopropylurea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.