TL;DR: Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(3-(dimethylamino)propoxy)phenyl)acetyl)-4,4-diphenyl-, cis-(+-)- (CAS 146772-42-1) is a chemical compound with molecular formula C32H38N2O3S2 and molecular weight 562.23236 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4aR,7aR)-4,4-bis(phenylsulfanyl)-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrol-6-yl]-2-[2-[3-(dimethylamino)propoxy]phenyl]ethanone
Also Known As: Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(3-(dimethylamino)propoxy)phenyl)acetyl)-4,4-diphenyl-, cis-(+-)-, 1-[(4aR,7aR)-4,4-bis(phenylsulfanyl)-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrol-6-yl]-2-[2-[3-(dimethylamino)propoxy]phenyl]ethanone, 1-[(4aR,7aR)-4,4-Bis(phenylsulfanyl)hexahydropyrano[2,3-c]pyrrol-6(2H)-yl]-2-{2-[3-(dimethylamino)propoxy]phenyl}ethan-1-one
| Molecular Formula | C32H38N2O3S2 |
| Molecular Weight | 562.23236 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 92.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 562.23236 Da |
| Heavy Atoms | 39 |
| Complexity | 736.0 |
| SMILES | CN(C)CCCOC1=CC=CC=C1CC(=O)N2C[C@@H]3[C@H](C2)OCCC3(SC4=CC=CC=C4)SC5=CC=CC=C5 |
| InChIKey | NZFGUZUHHVDWRK-DGPALRBDSA-N |
The XLogP value of 6.2 indicates that Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(3-(dimethylamino)propoxy)phenyl)acetyl)-4,4-diphenyl-, cis-(+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(3-(dimethylamino)propoxy)phenyl)acetyl)-4,4-diphenyl-, cis-(+-)-. Following Lipinski's Rule of Five, Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(3-(dimethylamino)propoxy)phenyl)acetyl)-4,4-diphenyl-, cis-(+-)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(3-(dimethylamino)propoxy)phenyl)acetyl)-4,4-diphenyl-, cis-(+-)- is 146772-42-1.
The molecular formula of Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(3-(dimethylamino)propoxy)phenyl)acetyl)-4,4-diphenyl-, cis-(+-)- is C32H38N2O3S2.
The molecular weight of Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(3-(dimethylamino)propoxy)phenyl)acetyl)-4,4-diphenyl-, cis-(+-)- is 562.23236 g/mol.
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