TL;DR: Glycine, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)- (CAS 117125-42-5) is a chemical compound with molecular formula C16H15NO2S and molecular weight 285.08234 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylamino)acetic acid
Also Known As: N-(6,11-Dihydrodibenzo(b,e)thiepin-11-yl)glycine, Glycine, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, 2-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylamino)acetic acid, (6,11-dihydrodibenzo[b,e]thiepin-11-ylamino)acetic acid, N-(6,11-Dihydrodibenzo[b,e]thiepin-11-yl)glycine
| Molecular Formula | C16H15NO2S |
| Molecular Weight | 285.08234 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.08234 Da |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
| SMILES | C1C2=CC=CC=C2C(C3=CC=CC=C3S1)NCC(=O)O |
| InChIKey | DONIJYREHKJBCU-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glycine, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Glycine, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-. Following Lipinski's Rule of Five, Glycine, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)- 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 Glycine, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)- is 117125-42-5.
The molecular formula of Glycine, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)- is C16H15NO2S.
The molecular weight of Glycine, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)- is 285.08234 g/mol.
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