6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 1005244-90-5) is a chemical compound with molecular formula C21H26N2O4S and molecular weight 402.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, [6-(tert-butyl)(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)]-N-(3,5-dioxo-10-oxa- 4-azatricyclo[5.2.1.0<2,6>]dec-4-yl)carboxamide, 6-tert-butyl-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-octahydro-1H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 6-tert-butyl-N-(3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C21H26N2O4S |
|---|---|
| Molecular Weight | 402.16 g/mol |
| LogP | 2.7063 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.16132 |
| Heavy Atoms | 28 |
| Complexity | 842.2469 |
Chemical Identifiers
| CAS Number | 1005244-90-5 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC=C2C(=O)NN3C(=O)C4C5CCC(C4C3=O)O5 |
Product Overview
6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 1005244-90-5), with molecular formula C21H26N2O4S and molecular weight 402.16 g/mol. IUPAC: 6-tert-butyl-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 2.7063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, 6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 1 hydrogen bond donor(s) and 5 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 6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 1005244-90-5.
What is the molecular formula of 6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C21H26N2O4S.
What is the molecular weight of 6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 402.16 g/mol.
Where can I buy 6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-butyl-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.