4-Benzyl-1(2H)-phthalazinone
TL;DR: 4-Benzyl-1(2H)-phthalazinone (CAS 32003-14-8) is a chemical compound with molecular formula C15H12N2O and molecular weight 236.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-2H-phthalazin-1-one
Also Known As: 4-Benzyl-1(2H)-phthalazinone, 4-benzylphthalazin-1(2H)-one, 4-Benzyl-2H-phthalazin-1-one, benzylphthalazinone, phthalazinone, 1
| Molecular Formula | C15H12N2O |
|---|---|
| Molecular Weight | 236.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.09496 |
| Heavy Atoms | 18 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 32003-14-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NNC(=O)C3=CC=CC=C32 |
| InChIKey | JUCCMEHWBGPJKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzyl-1(2H)-phthalazinone (CAS 32003-14-8), with molecular formula C15H12N2O and molecular weight 236.09 g/mol. IUPAC: 4-benzyl-2H-phthalazin-1-one.
Chemical Property Profile of 4-Benzyl-1(2H)-phthalazinone
Property Insights of 4-Benzyl-1(2H)-phthalazinone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyl-1(2H)-phthalazinone. With a topological polar surface area (TPSA) of 41.5 Ų, 4-Benzyl-1(2H)-phthalazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-1(2H)-phthalazinone has 1 hydrogen bond donor(s) and 2 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-Benzyl-1(2H)-phthalazinone?
The CAS number of 4-Benzyl-1(2H)-phthalazinone is 32003-14-8.
What is the molecular formula of 4-Benzyl-1(2H)-phthalazinone?
The molecular formula of 4-Benzyl-1(2H)-phthalazinone is C15H12N2O.
What is the molecular weight of 4-Benzyl-1(2H)-phthalazinone?
The molecular weight of 4-Benzyl-1(2H)-phthalazinone is 236.09 g/mol.
Where can I buy 4-Benzyl-1(2H)-phthalazinone?
You can request a quote for 4-Benzyl-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-Benzyl-1(2H)-phthalazinone?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-1(2H)-phthalazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.