![4-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one structure](/static/products/6944/694462-65-2.webp)
4-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one
TL;DR: 4-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one (CAS 694462-65-2) is a chemical compound with molecular formula C17H16N2O2 and molecular weight 280.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one
Also Known As: ChemDiv2_004356, SDCCGMLS-0026120.P002, IDI1_003071, VU0047845-1, 4-[3-(hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one
| Molecular Formula | C17H16N2O2 |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.1212 |
| Heavy Atoms | 21 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 694462-65-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CO |
| InChIKey | HRGQKAWIGNNLPT-UHFFFAOYSA-N |
Product Overview
4-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one (CAS 694462-65-2), with molecular formula C17H16N2O2 and molecular weight 280.12 g/mol. IUPAC: 4-[3-(hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one.
Chemical Property Profile of 4-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one
Property Insights of 4-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one. With a topological polar surface area (TPSA) of 52.9 Ų, 4-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one has 1 hydrogen bond donor(s) and 3 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-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one?
The CAS number of 4-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one is 694462-65-2.
What is the molecular formula of 4-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one?
The molecular formula of 4-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one is C17H16N2O2.
What is the molecular weight of 4-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one?
The molecular weight of 4-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one is 280.12 g/mol.
Where can I buy 4-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one?
You can request a quote for 4-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(Hydroxymethyl)-4-methylphenyl]-2-methylphthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.