ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate
TL;DR: ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate (CAS 496773-57-0) is a chemical compound with molecular formula C27H27N5O5S and molecular weight 533.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[4-(4-acetamidoanilino)phthalazin-1-yl]-2-methylphenyl]sulfonylamino]acetate
Also Known As: ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate, ethyl 2-[[5-[4-(4-acetamidoanilino)phthalazin-1-yl]-2-methylphenyl]sulfonylamino]acetate, ethyl N-({5-[(4Z)-4-{[4-(acetylamino)phenyl]imino}-3,4-dihydrophthalazin-1-yl]-2-methylphenyl}sulfonyl)glycinate
| Molecular Formula | C27H27N5O5S |
|---|---|
| Molecular Weight | 533.17 g/mol |
| LogP | 4.14862 |
| Topological Polar Surface Area | 139.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 533.1733 |
| Heavy Atoms | 38 |
| Complexity | 1604.5054 |
Chemical Identifiers
| CAS Number | 496773-57-0 |
|---|---|
| SMILES | CCOC(=O)CNS(=O)(=O)C1=C(C=CC(=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)NC(=O)C)C |
Product Overview
ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate (CAS 496773-57-0), with molecular formula C27H27N5O5S and molecular weight 533.17 g/mol. IUPAC: ethyl 2-[[5-[4-(4-acetamidoanilino)phthalazin-1-yl]-2-methylphenyl]sulfonylamino]acetate.
Chemical Property Profile of ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate
Property Insights of ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate
The XLogP value of 4.14862 indicates that ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.38 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate. Following Lipinski's Rule of Five, ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate?
The CAS number of ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate is 496773-57-0.
What is the molecular formula of ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate?
The molecular formula of ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate is C27H27N5O5S.
What is the molecular weight of ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate?
The molecular weight of ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate is 533.17 g/mol.
Where can I buy ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate?
You can request a quote for ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(5-(4-((4-acetamidophenyl)amino)phthalazin-1-yl)-2-methylphenylsulfonamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.