4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one
TL;DR: 4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one (CAS 10001-31-7) is a chemical compound with molecular formula C17H16N2O3 and molecular weight 296.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,4-dimethoxyphenyl)methyl]-2H-phthalazin-1-one
Also Known As: 4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one, Anti-Trypanosoma cruzi agent-4, ChemDiv2_001057, 4-[(3,4-dimethoxyphenyl)methyl]-2H-phthalazin-1-one, 4-(3,4-Dimethoxy-benzyl)-2H-phthalazin-1-one
| Molecular Formula | C17H16N2O3 |
|---|---|
| Molecular Weight | 296.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 59.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.1161 |
| Heavy Atoms | 22 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 10001-31-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NNC(=O)C3=CC=CC=C32)OC |
| InChIKey | MZTYHTIOAPBYFN-UHFFFAOYSA-N |
Product Overview
4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one (CAS 10001-31-7), with molecular formula C17H16N2O3 and molecular weight 296.12 g/mol. IUPAC: 4-[(3,4-dimethoxyphenyl)methyl]-2H-phthalazin-1-one.
Chemical Property Profile of 4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one
Property Insights of 4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one. With a topological polar surface area (TPSA) of 59.9 Ų, 4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one has 1 hydrogen bond donor(s) and 4 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-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one?
The CAS number of 4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one is 10001-31-7.
What is the molecular formula of 4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one?
The molecular formula of 4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one is C17H16N2O3.
What is the molecular weight of 4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one?
The molecular weight of 4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one is 296.12 g/mol.
Where can I buy 4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one?
You can request a quote for 4-(3,4-dimethoxybenzyl)phthalazin-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-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.