N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
TL;DR: N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide (CAS 801231-53-8) is a chemical compound with molecular formula C17H13N3O4 and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide
Also Known As: N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide, A4037/0172100, N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide, N-(2H-1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide, 1-Phthalazinecarboxamide, N-(1,3-benzodioxol-5-yl)-3,4-dihydro-3-methyl-4-oxo-
| Molecular Formula | C17H13N3O4 |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | 1.9145 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.0906 |
| Heavy Atoms | 24 |
| Complexity | 1026.0096 |
Chemical Identifiers
| CAS Number | 801231-53-8 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OCO4 |
Product Overview
N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide (CAS 801231-53-8), with molecular formula C17H13N3O4 and molecular weight 323.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Property Insights of N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
The XLogP value of 1.9145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide has 1 hydrogen bond donor(s) and 5 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 N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide is 801231-53-8.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide is C17H13N3O4.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide is 323.09 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.