TL;DR: MC-Doxhzn (CAS 151038-96-9) is a chemical compound with molecular formula C37H42N4O13 and molecular weight 750.27484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]amino]-6-(2,5-dioxopyrrol-1-yl)hexanamide
Also Known As: MC-Doxhzn, ALDOXORUBICIN, N-[[1-[4-(4-Amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]amino]-6-(2,5-dioxopyrrol-1-yl)hexanamide, 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-hexanoic acid (1-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-hydroxyethylidene)hydrazide, (2S-cis)-
| Molecular Formula | C37H42N4O13 |
| Molecular Weight | 750.27484 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 268.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Exact Mass | 750.27484 Da |
| Heavy Atoms | 54 |
| Complexity | 1510.0 |
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)CCCCCN6C(=O)C=CC6=O)CO)O)N)O |
| InChIKey | OBMJQRLIQQTJLR-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MC-Doxhzn. The TPSA of 268.0 Ų indicates high polarity, suggesting MC-Doxhzn may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, MC-Doxhzn has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of MC-Doxhzn is 151038-96-9.
The molecular formula of MC-Doxhzn is C37H42N4O13.
The molecular weight of MC-Doxhzn is 750.27484 g/mol.
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