1-Hydroxy-4-methylphthalazine
TL;DR: 1-Hydroxy-4-methylphthalazine (CAS 5004-48-8) is a chemical compound with molecular formula C9H8N2O and molecular weight 160.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2H-phthalazin-1-one
Also Known As: 4-Methylphthalazin-1(2H)-one, 4-Methyl-2H-phthalazin-1-one, Hydroxy-4-methylphthalazine, 4-Methylphthalazin-1-ol, 4-METHYL-1(2H)-PHTHALAZINONE
| Molecular Formula | C9H8N2O |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.06366 |
| Heavy Atoms | 12 |
| Complexity | 235.0 |
| Solubility | 7.2 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 5004-48-8 |
|---|---|
| SMILES | CC1=NNC(=O)C2=CC=CC=C12 |
| InChIKey | QRNVHFPDZAZUGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Hydroxy-4-methylphthalazine (CAS 5004-48-8), with molecular formula C9H8N2O and molecular weight 160.06 g/mol. IUPAC: 4-methyl-2H-phthalazin-1-one.
Chemical Property Profile of 1-Hydroxy-4-methylphthalazine
Property Insights of 1-Hydroxy-4-methylphthalazine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxy-4-methylphthalazine. With a topological polar surface area (TPSA) of 41.5 Ų, 1-Hydroxy-4-methylphthalazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hydroxy-4-methylphthalazine 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 1-Hydroxy-4-methylphthalazine?
The CAS number of 1-Hydroxy-4-methylphthalazine is 5004-48-8.
What is the molecular formula of 1-Hydroxy-4-methylphthalazine?
The molecular formula of 1-Hydroxy-4-methylphthalazine is C9H8N2O.
What is the molecular weight of 1-Hydroxy-4-methylphthalazine?
The molecular weight of 1-Hydroxy-4-methylphthalazine is 160.06 g/mol.
Where can I buy 1-Hydroxy-4-methylphthalazine?
You can request a quote for 1-Hydroxy-4-methylphthalazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxy-4-methylphthalazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxy-4-methylphthalazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.