4-((4-Chloroanilino)methyl)-1(2H)-phthalazinone
TL;DR: 4-((4-Chloroanilino)methyl)-1(2H)-phthalazinone (CAS 303995-15-5) is a chemical compound with molecular formula C15H12ClN3O and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chloroanilino)methyl]-2H-phthalazin-1-one
Also Known As: 4-((4-Chloroanilino)methyl)-1(2H)-phthalazinone, 4-[(4-chloroanilino)methyl]-2H-phthalazin-1-one, 4-[(4-chloroanilino)methyl]-1(2H)-phthalazinone, 12B-013, 4-{[(4-chlorophenyl)amino]methyl}-1,2-dihydrophthalazin-1-one
| Molecular Formula | C15H12ClN3O |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 3.1886 |
| Topological Polar Surface Area | 57.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.0669 |
| Heavy Atoms | 20 |
| Complexity | 796.0728 |
Chemical Identifiers
| CAS Number | 303995-15-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NNC2=O)CNC3=CC=C(C=C3)Cl |
Product Overview
4-((4-Chloroanilino)methyl)-1(2H)-phthalazinone (CAS 303995-15-5), with molecular formula C15H12ClN3O and molecular weight 285.07 g/mol. IUPAC: 4-[(4-chloroanilino)methyl]-2H-phthalazin-1-one.
Chemical Property Profile of 4-((4-Chloroanilino)methyl)-1(2H)-phthalazinone
Property Insights of 4-((4-Chloroanilino)methyl)-1(2H)-phthalazinone
The XLogP value of 3.1886 indicates that 4-((4-Chloroanilino)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 57.78 Ų, 4-((4-Chloroanilino)methyl)-1(2H)-phthalazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-Chloroanilino)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-((4-Chloroanilino)methyl)-1(2H)-phthalazinone?
The CAS number of 4-((4-Chloroanilino)methyl)-1(2H)-phthalazinone is 303995-15-5.
What is the molecular formula of 4-((4-Chloroanilino)methyl)-1(2H)-phthalazinone?
The molecular formula of 4-((4-Chloroanilino)methyl)-1(2H)-phthalazinone is C15H12ClN3O.
What is the molecular weight of 4-((4-Chloroanilino)methyl)-1(2H)-phthalazinone?
The molecular weight of 4-((4-Chloroanilino)methyl)-1(2H)-phthalazinone is 285.07 g/mol.
Where can I buy 4-((4-Chloroanilino)methyl)-1(2H)-phthalazinone?
You can request a quote for 4-((4-Chloroanilino)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-((4-Chloroanilino)methyl)-1(2H)-phthalazinone?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Chloroanilino)methyl)-1(2H)-phthalazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.