TL;DR: Tan 1120 (CAS 131443-34-0) is a chemical compound with molecular formula C34H41NO13 and molecular weight 671.2578 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-acetyl-6,9,11-trihydroxy-7-[[5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethyl-4,5,6,6a,7,8,10,10a-octahydropyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Tan 1120, EX-A11982, 9-acetyl-6,9,11-trihydroxy-7-[[5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethyl-4,5,6,6a,7,8,10,10a-octahydropyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((octahydro-5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethylpyrano(3,4-d)-1,3,6-dioxazocin-8-yl)oxy)-, 8-Acetyl-6,8,11-trihydroxy-10-{[5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethyloctahydro-2H-pyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy}-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C34H41NO13 |
| Molecular Weight | 671.2578 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 211.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 671.2578 Da |
| Heavy Atoms | 48 |
| Complexity | 1220.0 |
| SMILES | CC1C2C(CC(O1)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)C)O)NC(C(OC(O2)CC(C)O)C)O |
| InChIKey | IYMKZHJAGBHDOV-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tan 1120. The TPSA of 211.0 Ų indicates high polarity, suggesting Tan 1120 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tan 1120 has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tan 1120 is 131443-34-0.
The molecular formula of Tan 1120 is C34H41NO13.
The molecular weight of Tan 1120 is 671.2578 g/mol.
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