Cyanomethyladriamycin
TL;DR: Cyanomethyladriamycin (CAS 103450-92-6) is a chemical compound with molecular formula C29H30N2O11 and molecular weight 582.18494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]acetonitrile
Also Known As: Cyanomethyladriamycin, N-(Cyanomethyl)doxorubicin, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-((cyanomethyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(hydroxyacetyl)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-, 2-[[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]acetonitrile, 3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-[(cyanomethyl)amino]-2,3,6-trideoxyhexopyranoside
Technical Specifications
| Molecular Formula | C29H30N2O11 |
| Molecular Weight | 582.18494 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 216.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 582.18494 Da |
| Heavy Atoms | 42 |
| Complexity | 1110.0 |
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NCC#N)O |
| InChIKey | SDWZXVTWORCAMD-UHFFFAOYSA-N |
Chemical Property Profile of Cyanomethyladriamycin
Property Insights of Cyanomethyladriamycin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanomethyladriamycin. The TPSA of 216.0 Ų indicates high polarity, suggesting Cyanomethyladriamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyanomethyladriamycin has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cyanomethyladriamycin?
The CAS number of Cyanomethyladriamycin is 103450-92-6.
What is the molecular formula of Cyanomethyladriamycin?
The molecular formula of Cyanomethyladriamycin is C29H30N2O11.
What is the molecular weight of Cyanomethyladriamycin?
The molecular weight of Cyanomethyladriamycin is 582.18494 g/mol.
Where can I buy Cyanomethyladriamycin?
You can request a quote for Cyanomethyladriamycin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyanomethyladriamycin?
Yes, CoreyChem provides custom synthesis services for Cyanomethyladriamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.