1-(2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea
TL;DR: 1-(2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea (CAS 845991-35-7) is a chemical compound with molecular formula C24H22N4O2 and molecular weight 398.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-3-phenylurea
Also Known As: ChemDiv3_005974, IDI1_023884, 1-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-3-phenylurea, 1-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea, 1-[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl]-3-phenylurea
| Molecular Formula | C24H22N4O2 |
|---|---|
| Molecular Weight | 398.17 g/mol |
| LogP | 4.23062 |
| Topological Polar Surface Area | 76.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.1743 |
| Heavy Atoms | 30 |
| Complexity | 1279.6268 |
Chemical Identifiers
| CAS Number | 845991-35-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)NC4=CC=CC=C4 |
Product Overview
1-(2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea (CAS 845991-35-7), with molecular formula C24H22N4O2 and molecular weight 398.17 g/mol. IUPAC: 1-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-3-phenylurea.
Chemical Property Profile of 1-(2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea
Property Insights of 1-(2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea
The XLogP value of 4.23062 indicates that 1-(2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea. Following Lipinski's Rule of Five, 1-(2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea has 2 hydrogen bond donor(s) and 3 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-(2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea?
The CAS number of 1-(2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea is 845991-35-7.
What is the molecular formula of 1-(2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea?
The molecular formula of 1-(2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea is C24H22N4O2.
What is the molecular weight of 1-(2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea?
The molecular weight of 1-(2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea is 398.17 g/mol.
Where can I buy 1-(2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea?
You can request a quote for 1-(2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.