Methylaminedaunomycin
TL;DR: Methylaminedaunomycin (CAS 105317-92-8) is a chemical compound with molecular formula C28H31NO10 and molecular weight 541.1948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7S,9S)-9-acetyl-7-[(2S,4S,5R,6R)-4-(aminomethyl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Methylaminedaunomycin, Diazene, (2-chloroethyl)hydroxy-, potassium salt, (E)-, 5,12-Naphthacenedione, 8-acetyl-10-((4-(aminomethyl)tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (2R-(2alpha(8S*,10S*),4beta,5beta,6beta))-, 8-Acetyl-10-((4-(aminomethyl)tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione (2R-(2alpha(8S*,10S*),4beta,5beta,6beta))-, (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl (5R)-3-(aminomethyl)-2,3-dideoxy-5-methyl-beta-L-erythro-pentopyranoside
Technical Specifications
| Molecular Formula | C28H31NO10 |
| Molecular Weight | 541.1948 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 186.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 541.1948 Da |
| Heavy Atoms | 39 |
| Complexity | 976.0 |
| SMILES | C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)CN)O |
| InChIKey | GKTODCFNUAPFTM-DRMUDOGZSA-N |
Chemical Property Profile of Methylaminedaunomycin
Property Insights of Methylaminedaunomycin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylaminedaunomycin. The TPSA of 186.0 Ų indicates high polarity, suggesting Methylaminedaunomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methylaminedaunomycin has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Methylaminedaunomycin?
The CAS number of Methylaminedaunomycin is 105317-92-8.
What is the molecular formula of Methylaminedaunomycin?
The molecular formula of Methylaminedaunomycin is C28H31NO10.
What is the molecular weight of Methylaminedaunomycin?
The molecular weight of Methylaminedaunomycin is 541.1948 g/mol.
Where can I buy Methylaminedaunomycin?
You can request a quote for Methylaminedaunomycin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methylaminedaunomycin?
Yes, CoreyChem provides custom synthesis services for Methylaminedaunomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.