![4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone structure](/static/products/3039/303995-64-4.webp)
4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone
TL;DR: 4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone (CAS 303995-64-4) is a chemical compound with molecular formula C15H11Cl2N3O and molecular weight 319.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dichloroanilino)methyl]-2H-phthalazin-1-one
Also Known As: 4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone, 4-[(2,4-dichloroanilino)methyl]-2H-phthalazin-1-one, NCI60_016111, 4-((2,4-Dichloroanilino)methyl)-1-phthalazinol, 4-{[(2,4-dichlorophenyl)amino]methyl}-1,2-dihydrophthalazin-1-one
| Molecular Formula | C15H11Cl2N3O |
|---|---|
| Molecular Weight | 319.03 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.02792 |
| Heavy Atoms | 21 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 303995-64-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NNC2=O)CNC3=C(C=C(C=C3)Cl)Cl |
| InChIKey | MPXGMPRIJUTPCP-UHFFFAOYSA-N |
Product Overview
4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone (CAS 303995-64-4), with molecular formula C15H11Cl2N3O and molecular weight 319.03 g/mol. IUPAC: 4-[(2,4-dichloroanilino)methyl]-2H-phthalazin-1-one.
Chemical Property Profile of 4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone
Property Insights of 4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone
The XLogP value of 4.0 indicates that 4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.5 Ų, 4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone has 2 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-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone?
The CAS number of 4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone is 303995-64-4.
What is the molecular formula of 4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone?
The molecular formula of 4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone is C15H11Cl2N3O.
What is the molecular weight of 4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone?
The molecular weight of 4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone is 319.03 g/mol.
Where can I buy 4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone?
You can request a quote for 4-[(2,4-dichloroanilino)methyl]-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-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.