4-(anilinomethyl)-1(2H)-phthalazinone
TL;DR: 4-(anilinomethyl)-1(2H)-phthalazinone (CAS 303995-47-3) is a chemical compound with molecular formula C15H13N3O and molecular weight 251.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(anilinomethyl)-2H-phthalazin-1-one
Also Known As: 4-(anilinomethyl)-1(2H)-phthalazinone, 4-(anilinomethyl)-2H-phthalazin-1-one, 4-[(phenylamino)methyl]-1,2-dihydrophthalazin-1-one, 4-((phenylamino)methyl)phthalazin-1(2H)-one, 4-[(PHENYLAMINO)METHYL]-2H-PHTHALAZIN-1-ONE
| Molecular Formula | C15H13N3O |
|---|---|
| Molecular Weight | 251.11 g/mol |
| LogP | 2.5352 |
| Topological Polar Surface Area | 57.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.10587 |
| Heavy Atoms | 19 |
| Complexity | 749.9355 |
Chemical Identifiers
| CAS Number | 303995-47-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCC2=NNC(=O)C3=CC=CC=C32 |
Product Overview
4-(anilinomethyl)-1(2H)-phthalazinone (CAS 303995-47-3), with molecular formula C15H13N3O and molecular weight 251.11 g/mol. IUPAC: 4-(anilinomethyl)-2H-phthalazin-1-one.
Chemical Property Profile of 4-(anilinomethyl)-1(2H)-phthalazinone
Property Insights of 4-(anilinomethyl)-1(2H)-phthalazinone
The XLogP value of 2.5352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(anilinomethyl)-1(2H)-phthalazinone. With a topological polar surface area (TPSA) of 57.78 Ų, 4-(anilinomethyl)-1(2H)-phthalazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(anilinomethyl)-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-(anilinomethyl)-1(2H)-phthalazinone?
The CAS number of 4-(anilinomethyl)-1(2H)-phthalazinone is 303995-47-3.
What is the molecular formula of 4-(anilinomethyl)-1(2H)-phthalazinone?
The molecular formula of 4-(anilinomethyl)-1(2H)-phthalazinone is C15H13N3O.
What is the molecular weight of 4-(anilinomethyl)-1(2H)-phthalazinone?
The molecular weight of 4-(anilinomethyl)-1(2H)-phthalazinone is 251.11 g/mol.
Where can I buy 4-(anilinomethyl)-1(2H)-phthalazinone?
You can request a quote for 4-(anilinomethyl)-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-(anilinomethyl)-1(2H)-phthalazinone?
Yes, KEHONG BIO provides custom synthesis services for 4-(anilinomethyl)-1(2H)-phthalazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.