(4-Methylphenyl)-1-(2H)-phthalazinone
TL;DR: (4-Methylphenyl)-1-(2H)-phthalazinone (CAS 51334-85-1) is a chemical compound with molecular formula C15H12N2O and molecular weight 236.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-2H-phthalazin-1-one
Also Known As: 4-(p-tolyl)phthalazin-1(2H)-one, 4-(4-methylphenyl)phthalazin-1-ol, (4-Methylphenyl)-1-(2H)-phthalazinone, 4-(4-methylphenyl)-1,2-dihydrophthalazin-1-one, -1- -PHTHALAZINONE
| Molecular Formula | C15H12N2O |
|---|---|
| Molecular Weight | 236.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.09496 |
| Heavy Atoms | 18 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 51334-85-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32 |
| InChIKey | QBGWUKDMIGJTDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Methylphenyl)-1-(2H)-phthalazinone (CAS 51334-85-1), with molecular formula C15H12N2O and molecular weight 236.09 g/mol. IUPAC: 4-(4-methylphenyl)-2H-phthalazin-1-one.
Chemical Property Profile of (4-Methylphenyl)-1-(2H)-phthalazinone
Property Insights of (4-Methylphenyl)-1-(2H)-phthalazinone
The XLogP value of 3.0 indicates that (4-Methylphenyl)-1-(2H)-phthalazinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, (4-Methylphenyl)-1-(2H)-phthalazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methylphenyl)-1-(2H)-phthalazinone 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-Methylphenyl)-1-(2H)-phthalazinone?
The CAS number of (4-Methylphenyl)-1-(2H)-phthalazinone is 51334-85-1.
What is the molecular formula of (4-Methylphenyl)-1-(2H)-phthalazinone?
The molecular formula of (4-Methylphenyl)-1-(2H)-phthalazinone is C15H12N2O.
What is the molecular weight of (4-Methylphenyl)-1-(2H)-phthalazinone?
The molecular weight of (4-Methylphenyl)-1-(2H)-phthalazinone is 236.09 g/mol.
Where can I buy (4-Methylphenyl)-1-(2H)-phthalazinone?
You can request a quote for (4-Methylphenyl)-1-(2H)-phthalazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methylphenyl)-1-(2H)-phthalazinone?
Yes, KEHONG BIO provides custom synthesis services for (4-Methylphenyl)-1-(2H)-phthalazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.