3-(3-oxobutyl)-2H-phthalazine-1,4-dione
TL;DR: 3-(3-oxobutyl)-2H-phthalazine-1,4-dione (CAS 20264-95-3) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-oxobutyl)-2H-phthalazine-1,4-dione
Also Known As: 3-(3-oxobutyl)-2H-phthalazine-1,4-dione, 2-(3-oxobutyl)-2,3-dihydrophthalazine-1,4-dione, 2-(3-oxo-butyl)-2,3-dihydro-phthalazine-1,4-dione, 4-Hydroxy-2-(3-oxobutyl)phthalazin-1(2H)-one, 1,4-Phthalazinedione,2,3-dihydro-2-(3-oxobutyl)-
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 20264-95-3 |
|---|---|
| SMILES | CC(=O)CCN1C(=O)C2=CC=CC=C2C(=O)N1 |
| InChIKey | NCXUAFUZSGSSHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-oxobutyl)-2H-phthalazine-1,4-dione (CAS 20264-95-3), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: 3-(3-oxobutyl)-2H-phthalazine-1,4-dione.
Chemical Property Profile of 3-(3-oxobutyl)-2H-phthalazine-1,4-dione
Property Insights of 3-(3-oxobutyl)-2H-phthalazine-1,4-dione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-oxobutyl)-2H-phthalazine-1,4-dione. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-oxobutyl)-2H-phthalazine-1,4-dione. Following Lipinski's Rule of Five, 3-(3-oxobutyl)-2H-phthalazine-1,4-dione has 1 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 3-(3-oxobutyl)-2H-phthalazine-1,4-dione?
The CAS number of 3-(3-oxobutyl)-2H-phthalazine-1,4-dione is 20264-95-3.
What is the molecular formula of 3-(3-oxobutyl)-2H-phthalazine-1,4-dione?
The molecular formula of 3-(3-oxobutyl)-2H-phthalazine-1,4-dione is C12H12N2O3.
What is the molecular weight of 3-(3-oxobutyl)-2H-phthalazine-1,4-dione?
The molecular weight of 3-(3-oxobutyl)-2H-phthalazine-1,4-dione is 232.08 g/mol.
Where can I buy 3-(3-oxobutyl)-2H-phthalazine-1,4-dione?
You can request a quote for 3-(3-oxobutyl)-2H-phthalazine-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-oxobutyl)-2H-phthalazine-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-oxobutyl)-2H-phthalazine-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.