1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea)
TL;DR: 1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea) (CAS 60903-52-8) is a chemical compound with molecular formula C17H28N4O2 and molecular weight 320.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-[3-(butylcarbamoylamino)-4-methylphenyl]urea
Also Known As: 1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea), 1-butyl-3-[3-(butylcarbamoylamino)-4-methylphenyl]urea, 1-butyl-3-[5-(butylcarbamoylamino)-2-methyl-phenyl]urea, 3-butyl-1-{5-[(butylcarbamoyl)amino]-2-methylphenyl}urea, 666-997-5
| Molecular Formula | C17H28N4O2 |
|---|---|
| Molecular Weight | 320.22 g/mol |
| LogP | 3.83822 |
| Topological Polar Surface Area | 82.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 320.22122 |
| Heavy Atoms | 23 |
| Complexity | 517.3149 |
Chemical Identifiers
| CAS Number | 60903-52-8 |
|---|---|
| SMILES | CCCCNC(=O)NC1=CC(=C(C=C1)C)NC(=O)NCCCC |
Product Overview
1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea) (CAS 60903-52-8), with molecular formula C17H28N4O2 and molecular weight 320.22 g/mol. IUPAC: 1-butyl-3-[3-(butylcarbamoylamino)-4-methylphenyl]urea.
Chemical Property Profile of 1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea)
Property Insights of 1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea)
The XLogP value of 3.83822 indicates that 1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea) 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-butylurea). Following Lipinski's Rule of Five, 1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea) 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-butylurea)?
The CAS number of 1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea) is 60903-52-8.
What is the molecular formula of 1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea)?
The molecular formula of 1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea) is C17H28N4O2.
What is the molecular weight of 1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea)?
The molecular weight of 1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea) is 320.22 g/mol.
Where can I buy 1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea)?
You can request a quote for 1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea) 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-butylurea)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.