Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide
TL;DR: Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide (CAS 155857-53-7) is a chemical compound with molecular formula C26H25N3O5S2 and molecular weight 523.12354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-8-methoxy-5-[(12E)-13-methoxy-7-methyl-3-oxa-11-azatricyclo[6.5.1.04,14]tetradeca-1,8(14),10,12-tetraen-9-yl]-4,4-dioxo-3a,8b-dihydrothieno[2,3-b][1]benzothiole-1-carbonitrile
Also Known As: Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide, Thieno(2,3-b)(1)benzothiophene-3-carbonitrile,3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-,8,8-dioxide
Technical Specifications
| Molecular Formula | C26H25N3O5S2 |
| Molecular Weight | 523.12354 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 523.12354 Da |
| Heavy Atoms | 36 |
| Complexity | 1300.0 |
| SMILES | CC1CCC2C3=C1C(C=N/C=C(\C3=CO2)/OC)C4=C5C(=C(C=C4)OC)C6C(S5(=O)=O)SC(=C6C#N)N |
| InChIKey | IUWIKAGIDRISDX-LKYXUNLSSA-N |
Chemical Property Profile of Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide
Property Insights of Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide. The TPSA of 158.0 Ų indicates high polarity, suggesting Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide?
The CAS number of Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide is 155857-53-7.
What is the molecular formula of Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide?
The molecular formula of Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide is C26H25N3O5S2.
What is the molecular weight of Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide?
The molecular weight of Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide is 523.12354 g/mol.
Where can I buy Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide?
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Yes, CoreyChem provides custom synthesis services for Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.