TL;DR: 3'-Iodo-4'-azidosalicylamidoethylamido-7-succinyldeacetylforskolin (CAS 121878-20-4) is a chemical compound with molecular formula C33H44IN5O10 and molecular weight 797.2133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 4-[2-[(4-azido-2-hydroxy-3-iodobenzoyl)amino]ethylamino]-4-oxobutanoate
Also Known As: Iasa-forskolin, 3'-Iodo-4'-azidosalicylamidoethylamido-7-succinyldeacetylforskolin, [(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 4-[2-[(4-azido-2-hydroxy-3-iodobenzoyl)amino]ethylamino]-4-oxobutanoate, 3/'-iodo-4/'-azidosalicylamidoethylamido-7-succinyldeacetylforskolin, N-[4-(1-Cyanocyclopentyl)phenyl]-2-[(4-pyridinylmethyl)amino]nicotinamide methanesulphonate
| Molecular Formula | C33H44IN5O10 |
| Molecular Weight | 797.2133 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 206.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 797.2133 Da |
| Heavy Atoms | 49 |
| Complexity | 1390.0 |
| SMILES | C[C@@]1(CC(=O)[C@]2([C@@]3([C@@H](CCC([C@H]3[C@H]([C@H]([C@@]2(O1)C)OC(=O)CCC(=O)NCCNC(=O)C4=C(C(=C(C=C4)N=[N+]=[N-])I)O)O)(C)C)O)C)O)C=C |
| InChIKey | UTCUSMOTNRCVGL-JFHNSAMMSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Iodo-4'-azidosalicylamidoethylamido-7-succinyldeacetylforskolin. The TPSA of 206.0 Ų indicates high polarity, suggesting 3'-Iodo-4'-azidosalicylamidoethylamido-7-succinyldeacetylforskolin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Iodo-4'-azidosalicylamidoethylamido-7-succinyldeacetylforskolin has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3'-Iodo-4'-azidosalicylamidoethylamido-7-succinyldeacetylforskolin is 121878-20-4.
The molecular formula of 3'-Iodo-4'-azidosalicylamidoethylamido-7-succinyldeacetylforskolin is C33H44IN5O10.
The molecular weight of 3'-Iodo-4'-azidosalicylamidoethylamido-7-succinyldeacetylforskolin is 797.2133 g/mol.
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