4-((4-Phenoxyanilino)methyl)-1(2H)-phthalazinone
TL;DR: 4-((4-Phenoxyanilino)methyl)-1(2H)-phthalazinone (CAS 305368-10-9) is a chemical compound with molecular formula C21H17N3O2 and molecular weight 343.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-phenoxyanilino)methyl]-2H-phthalazin-1-one
Also Known As: 4-((4-Phenoxyanilino)methyl)-1(2H)-phthalazinone, 4-[(4-phenoxyanilino)methyl]-2H-phthalazin-1-one, 5D-035, 4-[(4-phenoxyanilino)methyl]-1(2H)-phthalazinone, 4-{[(4-phenoxyphenyl)amino]methyl}-1,2-dihydrophthalazin-1-one
| Molecular Formula | C21H17N3O2 |
|---|---|
| Molecular Weight | 343.13 g/mol |
| LogP | 4.3275 |
| Topological Polar Surface Area | 67.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.13208 |
| Heavy Atoms | 26 |
| Complexity | 1073.613 |
Chemical Identifiers
| CAS Number | 305368-10-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)NCC3=NNC(=O)C4=CC=CC=C43 |
Product Overview
4-((4-Phenoxyanilino)methyl)-1(2H)-phthalazinone (CAS 305368-10-9), with molecular formula C21H17N3O2 and molecular weight 343.13 g/mol. IUPAC: 4-[(4-phenoxyanilino)methyl]-2H-phthalazin-1-one.
Chemical Property Profile of 4-((4-Phenoxyanilino)methyl)-1(2H)-phthalazinone
Property Insights of 4-((4-Phenoxyanilino)methyl)-1(2H)-phthalazinone
The XLogP value of 4.3275 indicates that 4-((4-Phenoxyanilino)methyl)-1(2H)-phthalazinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Phenoxyanilino)methyl)-1(2H)-phthalazinone. Following Lipinski's Rule of Five, 4-((4-Phenoxyanilino)methyl)-1(2H)-phthalazinone has 2 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-((4-Phenoxyanilino)methyl)-1(2H)-phthalazinone?
The CAS number of 4-((4-Phenoxyanilino)methyl)-1(2H)-phthalazinone is 305368-10-9.
What is the molecular formula of 4-((4-Phenoxyanilino)methyl)-1(2H)-phthalazinone?
The molecular formula of 4-((4-Phenoxyanilino)methyl)-1(2H)-phthalazinone is C21H17N3O2.
What is the molecular weight of 4-((4-Phenoxyanilino)methyl)-1(2H)-phthalazinone?
The molecular weight of 4-((4-Phenoxyanilino)methyl)-1(2H)-phthalazinone is 343.13 g/mol.
Where can I buy 4-((4-Phenoxyanilino)methyl)-1(2H)-phthalazinone?
You can request a quote for 4-((4-Phenoxyanilino)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-Phenoxyanilino)methyl)-1(2H)-phthalazinone?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Phenoxyanilino)methyl)-1(2H)-phthalazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.