TL;DR: 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide (CAS 165066-43-3) is a chemical compound with molecular formula C14H17N3OS and molecular weight 275.10922 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
Also Known As: 3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide, ZERO/008074, 6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide, 6-amino-4-thia-2-azatricyclo[7.6.0.0^{3,7}]pentadeca-1,3(7),5,8-tetraene-5-carboxamide, 3-Amino-5,6,7,8,9,10-hexahydro-1-thia-11-aza-cycloocta[f]indene-2-carboxylic acid amide
| Molecular Formula | C14H17N3OS |
| Molecular Weight | 275.10922 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.10922 Da |
| Heavy Atoms | 19 |
| Complexity | 352.0 |
| SMILES | C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C(=O)N)N |
| InChIKey | TXFPLECDADHAPB-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide. Following Lipinski's Rule of Five, 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide is 165066-43-3.
The molecular formula of 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide is C14H17N3OS.
The molecular weight of 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide is 275.10922 g/mol.
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