![1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea structure](/static/products/899/899952-55-7.png)
1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
TL;DR: 1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea (CAS 899952-55-7) is a chemical compound with molecular formula C18H18N4O2 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
Also Known As: F2758-0178, 1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea, 4-{[3-(3,4-xylyl)ureido]methyl}-1(2H)-phthalazinone, 1-(3,4-dimethylphenyl)-3-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)urea, 1-(3,4-dimethylphenyl)-3-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]urea
| Molecular Formula | C18H18N4O2 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 2.86164 |
| Topological Polar Surface Area | 86.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.14297 |
| Heavy Atoms | 24 |
| Complexity | 962.63513 |
Chemical Identifiers
| CAS Number | 899952-55-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NCC2=NNC(=O)C3=CC=CC=C32)C |
Product Overview
1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea (CAS 899952-55-7), with molecular formula C18H18N4O2 and molecular weight 322.14 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea.
Chemical Property Profile of 1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
Property Insights of 1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
The XLogP value of 2.86164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea. The TPSA of 86.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea. Following Lipinski's Rule of Five, 1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea has 3 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-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
The CAS number of 1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea is 899952-55-7.
What is the molecular formula of 1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
The molecular formula of 1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea is C18H18N4O2.
What is the molecular weight of 1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
The molecular weight of 1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea is 322.14 g/mol.
Where can I buy 1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
You can request a quote for 1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dimethylphenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.