4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one
TL;DR: 4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one (CAS 93517-76-1) is a chemical compound with molecular formula C16H14N2O and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethylphenyl)-2H-phthalazin-1-one
Also Known As: Venadaparib Impurity 29, 4-(2,5-dimethylphenyl)-1,2-dihydrophthalazin-1-one, 4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one, 4-(2,5-Dimethyl-phenyl)-2H-phthalazin-1-one, 4-(2,5-dimethylphenyl)-2H-phthalazin-1-one
| Molecular Formula | C16H14N2O |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 3.20694 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.11061 |
| Heavy Atoms | 19 |
| Complexity | 818.33704 |
Chemical Identifiers
| CAS Number | 93517-76-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C2=NNC(=O)C3=CC=CC=C32 |
Product Overview
4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one (CAS 93517-76-1), with molecular formula C16H14N2O and molecular weight 250.11 g/mol. IUPAC: 4-(2,5-dimethylphenyl)-2H-phthalazin-1-one.
Chemical Property Profile of 4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one
Property Insights of 4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one
The XLogP value of 3.20694 indicates that 4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, 4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one has 1 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 4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one?
The CAS number of 4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one is 93517-76-1.
What is the molecular formula of 4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one?
The molecular formula of 4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one is C16H14N2O.
What is the molecular weight of 4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one?
The molecular weight of 4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one is 250.11 g/mol.
Where can I buy 4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one?
You can request a quote for 4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Dimethylphenyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.