ethyl 2-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)acetate
TL;DR: ethyl 2-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)acetate (CAS 371224-97-4) is a chemical compound with molecular formula C26H23F3N4O4S and molecular weight 544.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-methyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]phenyl]sulfonylamino]acetate
Also Known As: ethyl 2-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)acetate, ethyl 2-[[2-methyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]phenyl]sulfonylamino]acetate, ETHYL 2-[2-METHYL-5-(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PHTHALAZIN-1-YL)BENZENESULFONAMIDO]ACETATE, ethyl N-({2-methyl-5-[(4Z)-4-{[3-(trifluoromethyl)phenyl]imino}-3,4-dihydrophthalazin-1-yl]phenyl}sulfonyl)glycinate, ethyl N-{[2-methyl-5-(4-{[3-(trifluoromethyl)phenyl]amino}phthalazin-1-yl)phenyl]sulfonyl}glycinate
| Molecular Formula | C26H23F3N4O4S |
|---|---|
| Molecular Weight | 544.14 g/mol |
| LogP | 5.20902 |
| Topological Polar Surface Area | 110.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 544.1392 |
| Heavy Atoms | 38 |
| Complexity | 1608.1664 |
Chemical Identifiers
| CAS Number | 371224-97-4 |
|---|---|
| SMILES | CCOC(=O)CNS(=O)(=O)C1=C(C=CC(=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC(=C4)C(F)(F)F)C |
Product Overview
ethyl 2-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)acetate (CAS 371224-97-4), with molecular formula C26H23F3N4O4S and molecular weight 544.14 g/mol. IUPAC: ethyl 2-[[2-methyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]phenyl]sulfonylamino]acetate.
Chemical Property Profile of ethyl 2-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)acetate
Property Insights of ethyl 2-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)acetate
The XLogP value of 5.20902 indicates that ethyl 2-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)acetate. Following Lipinski's Rule of Five, ethyl 2-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)acetate 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 ethyl 2-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)acetate?
The CAS number of ethyl 2-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)acetate is 371224-97-4.
What is the molecular formula of ethyl 2-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)acetate?
The molecular formula of ethyl 2-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)acetate is C26H23F3N4O4S.
What is the molecular weight of ethyl 2-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)acetate?
The molecular weight of ethyl 2-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)acetate is 544.14 g/mol.
Where can I buy ethyl 2-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)acetate?
You can request a quote for ethyl 2-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)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-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-methyl-5-(4-((3-(trifluoromethyl)phenyl)amino)phthalazin-1-yl)phenylsulfonamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.