4-Phenyl-1-(2H)-phthalazinone
TL;DR: 4-Phenyl-1-(2H)-phthalazinone (CAS 5449-50-3) is a chemical compound with molecular formula C14H10N2O and molecular weight 222.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-2H-phthalazin-1-one
Also Known As: 4-Phenylphthalazin-1(2H)-one, 4-phenyl-1(2H)-phthalazinone, 4-Phenyl-2H-phthalazin-1-one, 4-Phenylbenzo(d, 4-phenyl phthalazinone
| Molecular Formula | C14H10N2O |
|---|---|
| Molecular Weight | 222.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.07932 |
| Heavy Atoms | 17 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 5449-50-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32 |
| InChIKey | XCJLBNVENUPHEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Phenyl-1-(2H)-phthalazinone (CAS 5449-50-3), with molecular formula C14H10N2O and molecular weight 222.08 g/mol. IUPAC: 4-phenyl-2H-phthalazin-1-one.
Chemical Property Profile of 4-Phenyl-1-(2H)-phthalazinone
Property Insights of 4-Phenyl-1-(2H)-phthalazinone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-1-(2H)-phthalazinone. With a topological polar surface area (TPSA) of 41.5 Ų, 4-Phenyl-1-(2H)-phthalazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-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-Phenyl-1-(2H)-phthalazinone?
The CAS number of 4-Phenyl-1-(2H)-phthalazinone is 5449-50-3.
What is the molecular formula of 4-Phenyl-1-(2H)-phthalazinone?
The molecular formula of 4-Phenyl-1-(2H)-phthalazinone is C14H10N2O.
What is the molecular weight of 4-Phenyl-1-(2H)-phthalazinone?
The molecular weight of 4-Phenyl-1-(2H)-phthalazinone is 222.08 g/mol.
Where can I buy 4-Phenyl-1-(2H)-phthalazinone?
You can request a quote for 4-Phenyl-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-Phenyl-1-(2H)-phthalazinone?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-1-(2H)-phthalazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.