TL;DR: 6,9-dimethoxy-4-propyl-2,3,4a,5,10,10a-hexahydro-4H-naphtho(2,3-b)(1,4)thiazine (CAS 116584-95-3) is a chemical compound with molecular formula C17H25NO2S and molecular weight 307.1606 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aR,10aR)-6,9-dimethoxy-4-propyl-2,3,4a,5,10,10a-hexahydrobenzo[g][1,4]benzothiazine
Also Known As: DPHNT, 6,9-Dimethoxy-4-propyl-2,3,4a,5,10,10a-hexahydro-4H-naphtho(2,3-b)(1,4)thiazine, (4aR,10aR)-6,9-dimethoxy-4-propyl-2,3,4a,5,10,10a-hexahydrobenzo[g][1,4]benzothiazine, trans-3,4,4a,5,10,10a-Hexahydro-6,9-dimethoxy-4-propyl-2H-naphtho(2,3-b)-1,4-thiazine, 2H-Naphtho(2,3-b)-1,4-thiazine, 3,4,4a,5,10,10a-hexahydro-6,9-dimethoxy-4-propyl-, trans-
| Molecular Formula | C17H25NO2S |
| Molecular Weight | 307.1606 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 47.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.1606 Da |
| Heavy Atoms | 21 |
| Complexity | 341.0 |
| SMILES | CCCN1CCS[C@H]2[C@H]1CC3=C(C=CC(=C3C2)OC)OC |
| InChIKey | YJSMLLBRHQBUOD-RHSMWYFYSA-N |
The XLogP value of 3.6 indicates that 6,9-dimethoxy-4-propyl-2,3,4a,5,10,10a-hexahydro-4H-naphtho(2,3-b)(1,4)thiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.0 Ų, 6,9-dimethoxy-4-propyl-2,3,4a,5,10,10a-hexahydro-4H-naphtho(2,3-b)(1,4)thiazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,9-dimethoxy-4-propyl-2,3,4a,5,10,10a-hexahydro-4H-naphtho(2,3-b)(1,4)thiazine has 0 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 6,9-dimethoxy-4-propyl-2,3,4a,5,10,10a-hexahydro-4H-naphtho(2,3-b)(1,4)thiazine is 116584-95-3.
The molecular formula of 6,9-dimethoxy-4-propyl-2,3,4a,5,10,10a-hexahydro-4H-naphtho(2,3-b)(1,4)thiazine is C17H25NO2S.
The molecular weight of 6,9-dimethoxy-4-propyl-2,3,4a,5,10,10a-hexahydro-4H-naphtho(2,3-b)(1,4)thiazine is 307.1606 g/mol.
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