6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 439096-98-7) is a chemical compound with molecular formula C17H13N3O3 and molecular weight 307.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-methyl-4-oxophthalazin-1-yl)-4H-1,4-benzoxazin-3-one
Also Known As: 6-(3-methyl-4-oxophthalazin-1-yl)-4H-1,4-benzoxazin-3-one, 6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one, 2T-0359, 6-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
| Molecular Formula | C17H13N3O3 |
|---|---|
| Molecular Weight | 307.10 g/mol |
| LogP | 1.9314 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.0957 |
| Heavy Atoms | 23 |
| Complexity | 1007.62646 |
Chemical Identifiers
| CAS Number | 439096-98-7 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC4=C(C=C3)OCC(=O)N4 |
Product Overview
6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 439096-98-7), with molecular formula C17H13N3O3 and molecular weight 307.10 g/mol. IUPAC: 6-(3-methyl-4-oxophthalazin-1-yl)-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 1.9314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one. Following Lipinski's Rule of Five, 6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one has 1 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 6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one is 439096-98-7.
What is the molecular formula of 6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one is C17H13N3O3.
What is the molecular weight of 6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one is 307.10 g/mol.
Where can I buy 6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.