![methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/5651/565192-75-8.webp)
methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 565192-75-8) is a chemical compound with molecular formula C21H24N2O4S2 and molecular weight 432.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-tert-butyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-tert-butyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 6-TERT-BUTYL-2-[(1,1-DIOXO-1??,2-BENZOTHIAZOL-3-YL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, METHYL 6-(TERT-BUTYL)-2-[(1,1-DIOXO-1H-1,2-BENZISOTHIAZOL-3-YL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 6-tert-butyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
| Molecular Formula | C21H24N2O4S2 |
|---|---|
| Molecular Weight | 432.12 g/mol |
| LogP | 4.2467 |
| Topological Polar Surface Area | 84.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 432.11774 |
| Heavy Atoms | 29 |
| Complexity | 1124.0353 |
Chemical Identifiers
| CAS Number | 565192-75-8 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC3=NS(=O)(=O)C4=CC=CC=C43 |
Product Overview
methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 565192-75-8), with molecular formula C21H24N2O4S2 and molecular weight 432.12 g/mol. IUPAC: methyl 6-tert-butyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 4.2467 indicates that methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.83 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 565192-75-8.
What is the molecular formula of methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C21H24N2O4S2.
What is the molecular weight of methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 432.12 g/mol.
Where can I buy methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.