N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
TL;DR: N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide (CAS 442648-68-2) is a chemical compound with molecular formula C22H17N3O5S and molecular weight 435.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide
Also Known As: N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide, N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide, N-(1,3-benzodioxol-5-yl)-5-(4-hydroxyphthalazin-1-yl)-2-methylbenzenesulfonamide, N-1,3-benzodioxol-5-yl-2-methyl-5-(4-oxo-3,4-dihydro-1-phthalazinyl)benzenesulfonamide, N-(2H-1,3-BENZODIOXOL-5-YL)-2-METHYL-5-(4-OXO-3,4-DIHYDROPHTHALAZIN-1-YL)BENZENE-1-SULFONAMIDE
| Molecular Formula | C22H17N3O5S |
|---|---|
| Molecular Weight | 435.09 g/mol |
| LogP | 3.42802 |
| Topological Polar Surface Area | 110.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.0889 |
| Heavy Atoms | 31 |
| Complexity | 1495.0461 |
Chemical Identifiers
| CAS Number | 442648-68-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)NC4=CC5=C(C=C4)OCO5 |
Product Overview
N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide (CAS 442648-68-2), with molecular formula C22H17N3O5S and molecular weight 435.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
Property Insights of N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
The XLogP value of 3.42802 indicates that N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide has 2 hydrogen bond donor(s) and 6 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)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide is 442648-68-2.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide is C22H17N3O5S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide is 435.09 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide 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)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.