![{5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester structure](/static/products/371/371213-66-0.png)
{5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester
TL;DR: {5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester (CAS 371213-66-0) is a chemical compound with molecular formula C26H24N4O6S and molecular weight 520.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methylphenyl]sulfonylamino]acetate
Also Known As: {5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester, ethyl 2-(5-(4-(benzo[d][1,3]dioxol-5-ylamino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate, ETHYL 2-(5-{4-[(2H-1,3-BENZODIOXOL-5-YL)AMINO]PHTHALAZIN-1-YL}-2-METHYLBENZENESULFONAMIDO)ACETATE, ethyl 2-[[5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methylphenyl]sulfonylamino]acetate, ethyl N-({5-[(4Z)-4-(1,3-benzodioxol-5-ylimino)-3,4-dihydrophthalazin-1-yl]-2-methylphenyl}sulfonyl)glycinate
| Molecular Formula | C26H24N4O6S |
|---|---|
| Molecular Weight | 520.14 g/mol |
| LogP | 3.91892 |
| Topological Polar Surface Area | 128.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 520.14166 |
| Heavy Atoms | 37 |
| Complexity | 1606.4949 |
Chemical Identifiers
| CAS Number | 371213-66-0 |
|---|---|
| SMILES | CCOC(=O)CNS(=O)(=O)C1=C(C=CC(=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)C |
Product Overview
{5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester (CAS 371213-66-0), with molecular formula C26H24N4O6S and molecular weight 520.14 g/mol. IUPAC: ethyl 2-[[5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methylphenyl]sulfonylamino]acetate.
Chemical Property Profile of {5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester
Property Insights of {5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester
The XLogP value of 3.91892 indicates that {5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.74 Ų falls within the moderate polarity range, balancing permeability and solubility for {5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester. Following Lipinski's Rule of Five, {5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester has 2 hydrogen bond donor(s) and 9 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-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester?
The CAS number of {5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester is 371213-66-0.
What is the molecular formula of {5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester?
The molecular formula of {5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester is C26H24N4O6S.
What is the molecular weight of {5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester?
The molecular weight of {5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester is 520.14 g/mol.
Where can I buy {5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester?
You can request a quote for {5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for {5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-benzenesulfonylamino}-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.