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4-[(4-hydroxyanilino)methyl]-1(2H)-phthalazinone
TL;DR: 4-[(4-hydroxyanilino)methyl]-1(2H)-phthalazinone (CAS 305368-05-2) is a chemical compound with molecular formula C15H13N3O2 and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one
Also Known As: 4-[(4-hydroxyanilino)methyl]-1(2H)-phthalazinone, 4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one, 4-{[(4-hydroxyphenyl)amino]methyl}-1,2-dihydrophthalazin-1-one, 4-((4-Hydroxyanilino)methyl)-1(2H)-phthalazinone, 4-[[(4-hydroxyphenyl)amino]methyl]-2H-phthalazin-1-one
| Molecular Formula | C15H13N3O2 |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | 2.2408 |
| Topological Polar Surface Area | 78.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.10077 |
| Heavy Atoms | 20 |
| Complexity | 794.0728 |
Chemical Identifiers
| CAS Number | 305368-05-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NNC2=O)CNC3=CC=C(C=C3)O |
Product Overview
4-[(4-hydroxyanilino)methyl]-1(2H)-phthalazinone (CAS 305368-05-2), with molecular formula C15H13N3O2 and molecular weight 267.10 g/mol. IUPAC: 4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one.
Chemical Property Profile of 4-[(4-hydroxyanilino)methyl]-1(2H)-phthalazinone
Property Insights of 4-[(4-hydroxyanilino)methyl]-1(2H)-phthalazinone
The XLogP value of 2.2408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-hydroxyanilino)methyl]-1(2H)-phthalazinone. The TPSA of 78.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-hydroxyanilino)methyl]-1(2H)-phthalazinone. Following Lipinski's Rule of Five, 4-[(4-hydroxyanilino)methyl]-1(2H)-phthalazinone has 3 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-hydroxyanilino)methyl]-1(2H)-phthalazinone?
The CAS number of 4-[(4-hydroxyanilino)methyl]-1(2H)-phthalazinone is 305368-05-2.
What is the molecular formula of 4-[(4-hydroxyanilino)methyl]-1(2H)-phthalazinone?
The molecular formula of 4-[(4-hydroxyanilino)methyl]-1(2H)-phthalazinone is C15H13N3O2.
What is the molecular weight of 4-[(4-hydroxyanilino)methyl]-1(2H)-phthalazinone?
The molecular weight of 4-[(4-hydroxyanilino)methyl]-1(2H)-phthalazinone is 267.10 g/mol.
Where can I buy 4-[(4-hydroxyanilino)methyl]-1(2H)-phthalazinone?
You can request a quote for 4-[(4-hydroxyanilino)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-hydroxyanilino)methyl]-1(2H)-phthalazinone?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-hydroxyanilino)methyl]-1(2H)-phthalazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.