![ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate structure](/static/products/668/668439-52-9.png)
ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
TL;DR: ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate (CAS 668439-52-9) is a chemical compound with molecular formula C26H23N5O4S and molecular weight 501.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4'-ethyl-4-(2-nitrophenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate
Also Known As: ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate, Ethyl 4'-ethyl-4-(2-nitrophenyl)-2'-phenyl-spiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate, ethyl 4'-ethyl-4-(2-nitrophenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate
| Molecular Formula | C26H23N5O4S |
|---|---|
| Molecular Weight | 501.15 g/mol |
| LogP | 5.4694 |
| Topological Polar Surface Area | 100.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.14706 |
| Heavy Atoms | 36 |
| Complexity | 1393.8467 |
Chemical Identifiers
| CAS Number | 668439-52-9 |
|---|---|
| SMILES | CCC1=NN(C2(C3=CC=CC=C31)N(N=C(S2)C(=O)OCC)C4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5 |
Product Overview
ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate (CAS 668439-52-9), with molecular formula C26H23N5O4S and molecular weight 501.15 g/mol. IUPAC: ethyl 4'-ethyl-4-(2-nitrophenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate.
Chemical Property Profile of ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Property Insights of ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
The XLogP value of 5.4694 indicates that ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate. Following Lipinski's Rule of Five, ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate has 0 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 ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate?
The CAS number of ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate is 668439-52-9.
What is the molecular formula of ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate?
The molecular formula of ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate is C26H23N5O4S.
What is the molecular weight of ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate?
The molecular weight of ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate is 501.15 g/mol.
Where can I buy ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate?
You can request a quote for ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.