![methyl 3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate structure](/static/products/668/668439-39-2.png)
methyl 3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
TL;DR: methyl 3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate (CAS 668439-39-2) is a chemical compound with molecular formula C25H21BrN4O2S and molecular weight 520.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-bromophenyl)-4'-ethyl-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate
Also Known As: methyl 3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate, methyl 4-(4-bromophenyl)-4'-ethyl-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate, spiro[phthalazine-1(2H),2'(3'H)-[1,3,4]thiadiazole]-5'-carboxylic acid, 3'-(4-bromophenyl)-4-ethyl-2-phenyl-, methyl ester
| Molecular Formula | C25H21BrN4O2S |
|---|---|
| Molecular Weight | 520.06 g/mol |
| LogP | 5.9336 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 520.0569 |
| Heavy Atoms | 33 |
| Complexity | 1262.9132 |
Chemical Identifiers
| CAS Number | 668439-39-2 |
|---|---|
| SMILES | CCC1=NN(C2(C3=CC=CC=C31)N(N=C(S2)C(=O)OC)C4=CC=C(C=C4)Br)C5=CC=CC=C5 |
Product Overview
methyl 3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate (CAS 668439-39-2), with molecular formula C25H21BrN4O2S and molecular weight 520.06 g/mol. IUPAC: methyl 4-(4-bromophenyl)-4'-ethyl-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate.
Chemical Property Profile of methyl 3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Property Insights of methyl 3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
The XLogP value of 5.9336 indicates that methyl 3'-(4-bromophenyl)-4-ethyl-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. With a topological polar surface area (TPSA) of 57.5 Ų, methyl 3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate has 0 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 methyl 3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate?
The CAS number of methyl 3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate is 668439-39-2.
What is the molecular formula of methyl 3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate?
The molecular formula of methyl 3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate is C25H21BrN4O2S.
What is the molecular weight of methyl 3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate?
The molecular weight of methyl 3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate is 520.06 g/mol.
Where can I buy methyl 3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate?
You can request a quote for methyl 3'-(4-bromophenyl)-4-ethyl-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 methyl 3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3'-(4-bromophenyl)-4-ethyl-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.