![methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate structure](/static/products/668/668449-36-3.png)
methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate
TL;DR: methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate (CAS 668449-36-3) is a chemical compound with molecular formula C32H28N2O2S2 and molecular weight 536.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate
Also Known As: methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate, methyl 3,3,3'-tri-o-tolyl-3H,3'H-spiro[benzo[c]thiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate, methyl 3,3,3'-tris(2-methylphenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
| Molecular Formula | C32H28N2O2S2 |
|---|---|
| Molecular Weight | 536.16 g/mol |
| LogP | 7.50076 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 536.15924 |
| Heavy Atoms | 38 |
| Complexity | 1552.4082 |
Chemical Identifiers
| CAS Number | 668449-36-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C2(C3=CC=CC=C3C4(S2)N(N=C(S4)C(=O)OC)C5=CC=CC=C5C)C6=CC=CC=C6C |
Product Overview
methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate (CAS 668449-36-3), with molecular formula C32H28N2O2S2 and molecular weight 536.16 g/mol. IUPAC: methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate.
Chemical Property Profile of methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate
Property Insights of methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate
The XLogP value of 7.50076 indicates that methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate has 0 hydrogen bond donor(s) and 6 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',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate?
The CAS number of methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate is 668449-36-3.
What is the molecular formula of methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate?
The molecular formula of methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate is C32H28N2O2S2.
What is the molecular weight of methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate?
The molecular weight of methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate is 536.16 g/mol.
Where can I buy methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate?
You can request a quote for methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-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',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3',3',4-tris(2-methylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.