TL;DR: 2-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)aniline (CAS 1071700-39-4) is a chemical compound with molecular formula C17H19NOS and molecular weight 285.11874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)aniline
Also Known As: 2-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)aniline, [2-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)phenyl]amine, 2-{4H,5AH,6H,7H,8H,9H,9AH-THIENO[3,2-C]CHROMEN-4-YL}ANILINE, 2-(5a,6,7,8,9,9a-Hexahydro-4H-thieno3,2-cchromen-4-yl)phenylamine, 2-(6,7,8,9,5a,9a-hexahydro-4H-thiopheno[3,2-c]chromen-4-yl)phenylamine
| Molecular Formula | C17H19NOS |
| Molecular Weight | 285.11874 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 63.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.11874 Da |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
| SMILES | C1CCC2C(C1)C3=C(C=CS3)C(O2)C4=CC=CC=C4N |
| InChIKey | VBTAIIORPJWNIB-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 2-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)aniline. Following Lipinski's Rule of Five, 2-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)aniline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)aniline is 1071700-39-4.
The molecular formula of 2-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)aniline is C17H19NOS.
The molecular weight of 2-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)aniline is 285.11874 g/mol.
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