TL;DR: Actinomycin d, 2-deamino- (CAS 10118-32-8) is a chemical compound with molecular formula C62H85N11O16 and molecular weight 1239.6176 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-dimethyl-3-oxo-1-N,9-N-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]phenoxazine-1,9-dicarboxamide
Also Known As: 2-Deaminoactinomycin D, Actinomycin d, 2-deamino-, 4,6-dimethyl-3-oxo-1-N,9-N-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]phenoxazine-1,9-dicarboxamide, 4,6-dimethyl-3-oxo-n,n'-bis[2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-di(propan-2-yl)hexadecahydro-1h-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3h-phenoxazine-1,9-dicarboxamide, NSC 224134
| Molecular Formula | C62H85N11O16 |
| Molecular Weight | 1239.6176 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 330.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 1239.6176 Da |
| Heavy Atoms | 89 |
| Complexity | 2970.0 |
| 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=C4C(=C(C=C3)C)OC5=C(C(=O)C=C(C5=N4)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 |
| InChIKey | ZOWMRHVAQGTFTG-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that Actinomycin d, 2-deamino- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 330.0 Ų indicates high polarity, suggesting Actinomycin d, 2-deamino- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Actinomycin d, 2-deamino- has 4 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Actinomycin d, 2-deamino- is 10118-32-8.
The molecular formula of Actinomycin d, 2-deamino- is C62H85N11O16.
The molecular weight of Actinomycin d, 2-deamino- is 1239.6176 g/mol.
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