1,1'-(4-Methyl-1,3-phenylene)bis(3-allylurea)
TL;DR: 1,1'-(4-Methyl-1,3-phenylene)bis(3-allylurea) (CAS 60903-53-9) is a chemical compound with molecular formula C15H20N4O2 and molecular weight 288.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-methyl-5-(prop-2-enylcarbamoylamino)phenyl]-3-prop-2-enylurea
Also Known As: 1,1'-(4-Methyl-1,3-phenylene)bis(3-allylurea), 1-[2-methyl-5-(prop-2-enylcarbamoylamino)phenyl]-3-prop-2-enylurea, 1-[2-methyl-5-(prop-2-enylcarbamoylamino)phenyl]-3-prop-2-enyl-urea, N-{4-methyl-3-[(prop-2-enylamino)carbonylamino]phenyl}(prop-2-enylamino)carbox amide
| Molecular Formula | C15H20N4O2 |
|---|---|
| Molecular Weight | 288.16 g/mol |
| LogP | 2.61002 |
| Topological Polar Surface Area | 82.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.15863 |
| Heavy Atoms | 21 |
| Complexity | 540.4752 |
Chemical Identifiers
| CAS Number | 60903-53-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NCC=C)NC(=O)NCC=C |
Product Overview
1,1'-(4-Methyl-1,3-phenylene)bis(3-allylurea) (CAS 60903-53-9), with molecular formula C15H20N4O2 and molecular weight 288.16 g/mol. IUPAC: 1-[2-methyl-5-(prop-2-enylcarbamoylamino)phenyl]-3-prop-2-enylurea.
Chemical Property Profile of 1,1'-(4-Methyl-1,3-phenylene)bis(3-allylurea)
Property Insights of 1,1'-(4-Methyl-1,3-phenylene)bis(3-allylurea)
The XLogP value of 2.61002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(4-Methyl-1,3-phenylene)bis(3-allylurea). 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-allylurea). Following Lipinski's Rule of Five, 1,1'-(4-Methyl-1,3-phenylene)bis(3-allylurea) 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-allylurea)?
The CAS number of 1,1'-(4-Methyl-1,3-phenylene)bis(3-allylurea) is 60903-53-9.
What is the molecular formula of 1,1'-(4-Methyl-1,3-phenylene)bis(3-allylurea)?
The molecular formula of 1,1'-(4-Methyl-1,3-phenylene)bis(3-allylurea) is C15H20N4O2.
What is the molecular weight of 1,1'-(4-Methyl-1,3-phenylene)bis(3-allylurea)?
The molecular weight of 1,1'-(4-Methyl-1,3-phenylene)bis(3-allylurea) is 288.16 g/mol.
Where can I buy 1,1'-(4-Methyl-1,3-phenylene)bis(3-allylurea)?
You can request a quote for 1,1'-(4-Methyl-1,3-phenylene)bis(3-allylurea) 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-allylurea)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(4-Methyl-1,3-phenylene)bis(3-allylurea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.