4-Phenyl-3,4-dihydrophthalazin-1(2h)-one
TL;DR: 4-Phenyl-3,4-dihydrophthalazin-1(2h)-one (CAS 5004-44-4) is a chemical compound with molecular formula C14H12N2O and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-3,4-dihydro-2H-phthalazin-1-one
Also Known As: 4-phenyl-3,4-dihydrophthalazin-1(2h)-one, 4-phenyl-3,4-dihydro-2H-phthalazin-1-one, 1(2H)-Phthalazinone,3,4-dihydro-4-phenyl-, RefChem:295467
| Molecular Formula | C14H12N2O |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.09496 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 5004-44-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C3=CC=CC=C3C(=O)NN2 |
| InChIKey | AUJMOIDYBYCZKW-UHFFFAOYSA-N |
Product Overview
4-Phenyl-3,4-dihydrophthalazin-1(2h)-one (CAS 5004-44-4), with molecular formula C14H12N2O and molecular weight 224.09 g/mol. IUPAC: 4-phenyl-3,4-dihydro-2H-phthalazin-1-one.
Chemical Property Profile of 4-Phenyl-3,4-dihydrophthalazin-1(2h)-one
Property Insights of 4-Phenyl-3,4-dihydrophthalazin-1(2h)-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-3,4-dihydrophthalazin-1(2h)-one. With a topological polar surface area (TPSA) of 41.1 Ų, 4-Phenyl-3,4-dihydrophthalazin-1(2h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-3,4-dihydrophthalazin-1(2h)-one has 2 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-3,4-dihydrophthalazin-1(2h)-one?
The CAS number of 4-Phenyl-3,4-dihydrophthalazin-1(2h)-one is 5004-44-4.
What is the molecular formula of 4-Phenyl-3,4-dihydrophthalazin-1(2h)-one?
The molecular formula of 4-Phenyl-3,4-dihydrophthalazin-1(2h)-one is C14H12N2O.
What is the molecular weight of 4-Phenyl-3,4-dihydrophthalazin-1(2h)-one?
The molecular weight of 4-Phenyl-3,4-dihydrophthalazin-1(2h)-one is 224.09 g/mol.
Where can I buy 4-Phenyl-3,4-dihydrophthalazin-1(2h)-one?
You can request a quote for 4-Phenyl-3,4-dihydrophthalazin-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-Phenyl-3,4-dihydrophthalazin-1(2h)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-3,4-dihydrophthalazin-1(2h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.