![5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide structure](/static/products/442/442648-94-4.png)
5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide
TL;DR: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide (CAS 442648-94-4) is a chemical compound with molecular formula C26H26N4O4S and molecular weight 490.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide
Also Known As: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide, 5-(4-(benzo[d][1,3]dioxol-5-ylamino)phthalazin-1-yl)-N-(tert-butyl)-2-methylbenzenesulfonamide, 5-[(4Z)-4-(1,3-benzodioxol-5-ylimino)-3,4-dihydrophthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide, 5-{4-[(2H-1,3-BENZODIOXOL-5-YL)AMINO]PHTHALAZIN-1-YL}-N-TERT-BUTYL-2-METHYLBENZENE-1-SULFONAMIDE
| Molecular Formula | C26H26N4O4S |
|---|---|
| Molecular Weight | 490.17 g/mol |
| LogP | 5.15432 |
| Topological Polar Surface Area | 102.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.16748 |
| Heavy Atoms | 35 |
| Complexity | 1545.2725 |
Chemical Identifiers
| CAS Number | 442648-94-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)S(=O)(=O)NC(C)(C)C |
Product Overview
5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide (CAS 442648-94-4), with molecular formula C26H26N4O4S and molecular weight 490.17 g/mol. IUPAC: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide.
Chemical Property Profile of 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide
Property Insights of 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide
The XLogP value of 5.15432 indicates that 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide. Following Lipinski's Rule of Five, 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide?
The CAS number of 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide is 442648-94-4.
What is the molecular formula of 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide?
The molecular formula of 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide is C26H26N4O4S.
What is the molecular weight of 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide?
The molecular weight of 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide is 490.17 g/mol.
Where can I buy 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide?
You can request a quote for 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.