![methyl 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/102/1024337-21-0.png)
methyl 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: methyl 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 1024337-21-0) is a chemical compound with molecular formula C31H32N2O5S and molecular weight 544.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-tert-butyl-2-(4,6-dioxo-2,3-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 6-tert-butyl-2-(4,6-dioxo-2,3-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-tert-butyl-2-(4,6-dioxo-2,3-diphenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C31H32N2O5S |
|---|---|
| Molecular Weight | 544.20 g/mol |
| LogP | 5.7368 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 544.2032 |
| Heavy Atoms | 39 |
| Complexity | 1428.406 |
Chemical Identifiers
| CAS Number | 1024337-21-0 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
methyl 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 1024337-21-0), with molecular formula C31H32N2O5S and molecular weight 544.20 g/mol. IUPAC: methyl 6-tert-butyl-2-(4,6-dioxo-2,3-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of methyl 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 5.7368 indicates that methyl 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-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 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of methyl 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 1024337-21-0.
What is the molecular formula of methyl 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of methyl 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C31H32N2O5S.
What is the molecular weight of methyl 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of methyl 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 544.20 g/mol.
Where can I buy methyl 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for methyl 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-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-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-(tert-butyl)-2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.