(1)Benzothieno(2,3-c)pyridine-4-carbonitrile, 1,2-dihydro-3-amino-5-methoxy-8-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-1-oxo-2-phenyl-, 9,9-dioxide
TL;DR: (1)Benzothieno(2,3-c)pyridine-4-carbonitrile, 1,2-dihydro-3-amino-5-methoxy-8-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-1-oxo-2-phenyl-, 9,9-dioxide (CAS 155857-54-8) is a chemical compound with molecular formula C33H28N4O6S and molecular weight 608.173 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-5-methoxy-8-[(12E)-13-methoxy-7-methyl-3-oxa-11-azatricyclo[6.5.1.04,14]tetradeca-1,8(14),10,12-tetraen-9-yl]-1,9,9-trioxo-2-phenyl-[1]benzothiolo[2,3-c]pyridine-4-carbonitrile
Also Known As: (1)Benzothieno(2,3-c)pyridine-4-carbonitrile, 1,2-dihydro-3-amino-5-methoxy-8-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-1-oxo-2-phenyl-, 9,9-dioxide
Technical Specifications
| Molecular Formula | C33H28N4O6S |
| Molecular Weight | 608.173 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 153.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 608.173 Da |
| Heavy Atoms | 44 |
| Complexity | 1630.0 |
| SMILES | CC1CCC2C3=C1C(C=N/C=C(\C3=CO2)/OC)C4=C5C(=C(C=C4)OC)C6=C(S5(=O)=O)C(=O)N(C(=C6C#N)N)C7=CC=CC=C7 |
| InChIKey | XFWMDSFKPNXAFB-ZJBYHSPASA-N |
Chemical Property Profile of (1)Benzothieno(2,3-c)pyridine-4-carbonitrile, 1,2-dihydro-3-amino-5-methoxy-8-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-1-oxo-2-phenyl-, 9,9-dioxide
Property Insights of (1)Benzothieno(2,3-c)pyridine-4-carbonitrile, 1,2-dihydro-3-amino-5-methoxy-8-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-1-oxo-2-phenyl-, 9,9-dioxide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1)Benzothieno(2,3-c)pyridine-4-carbonitrile, 1,2-dihydro-3-amino-5-methoxy-8-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-1-oxo-2-phenyl-, 9,9-dioxide. The TPSA of 153.0 Ų indicates high polarity, suggesting (1)Benzothieno(2,3-c)pyridine-4-carbonitrile, 1,2-dihydro-3-amino-5-methoxy-8-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-1-oxo-2-phenyl-, 9,9-dioxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (1)Benzothieno(2,3-c)pyridine-4-carbonitrile, 1,2-dihydro-3-amino-5-methoxy-8-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-1-oxo-2-phenyl-, 9,9-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 (1)Benzothieno(2,3-c)pyridine-4-carbonitrile, 1,2-dihydro-3-amino-5-methoxy-8-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-1-oxo-2-phenyl-, 9,9-dioxide?
The CAS number of (1)Benzothieno(2,3-c)pyridine-4-carbonitrile, 1,2-dihydro-3-amino-5-methoxy-8-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-1-oxo-2-phenyl-, 9,9-dioxide is 155857-54-8.
What is the molecular formula of (1)Benzothieno(2,3-c)pyridine-4-carbonitrile, 1,2-dihydro-3-amino-5-methoxy-8-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-1-oxo-2-phenyl-, 9,9-dioxide?
The molecular formula of (1)Benzothieno(2,3-c)pyridine-4-carbonitrile, 1,2-dihydro-3-amino-5-methoxy-8-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-1-oxo-2-phenyl-, 9,9-dioxide is C33H28N4O6S.
What is the molecular weight of (1)Benzothieno(2,3-c)pyridine-4-carbonitrile, 1,2-dihydro-3-amino-5-methoxy-8-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-1-oxo-2-phenyl-, 9,9-dioxide?
The molecular weight of (1)Benzothieno(2,3-c)pyridine-4-carbonitrile, 1,2-dihydro-3-amino-5-methoxy-8-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-1-oxo-2-phenyl-, 9,9-dioxide is 608.173 g/mol.
Where can I buy (1)Benzothieno(2,3-c)pyridine-4-carbonitrile, 1,2-dihydro-3-amino-5-methoxy-8-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-1-oxo-2-phenyl-, 9,9-dioxide?
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