TL;DR: 7-(1'-Adamantoyloxy)actinomycin D (CAS 78566-17-3) is a chemical compound with molecular formula C73H100N12O18 and molecular weight 1432.7279 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[8-amino-4,6-dimethyl-7-oxo-1,9-bis[[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]carbamoyl]phenoxazin-3-yl] adamantane-1-carboxylate
Also Known As: 7-(1'-Adamantoyloxy)actinomycin D, Actinomycin D, 7-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)oxy)-, 7-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)oxy)actinomycin D, [8-amino-4,6-dimethyl-7-oxo-1,9-bis[[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]carbamoyl]phenoxazin-3-yl]adamantane-1-carboxylate, [8-amino-4,6-dimethyl-7-oxo-1,9-bis[[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]carbamoyl]phenoxazin-3-yl] adamantane-1-carboxylate
| Molecular Formula | C73H100N12O18 |
| Molecular Weight | 1432.7279 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 382.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 11 |
| Exact Mass | 1432.7279 Da |
| Heavy Atoms | 103 |
| Complexity | 3540.0 |
| SMILES | CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=CC(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)OC(=O)C89CC1CC(C8)CC(C1)C9 |
| InChIKey | OICLHHUVKVCFLM-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that 7-(1'-Adamantoyloxy)actinomycin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 382.0 Ų indicates high polarity, suggesting 7-(1'-Adamantoyloxy)actinomycin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-(1'-Adamantoyloxy)actinomycin D has 5 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 7-(1'-Adamantoyloxy)actinomycin D is 78566-17-3.
The molecular formula of 7-(1'-Adamantoyloxy)actinomycin D is C73H100N12O18.
The molecular weight of 7-(1'-Adamantoyloxy)actinomycin D is 1432.7279 g/mol.
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