11-deoxydaunomycin
TL;DR: 11-deoxydaunomycin (CAS 71800-91-4) is a chemical compound with molecular formula C27H29NO9 and molecular weight 511.18423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9-dihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 11-deoxydaunomycin, 3-acetyl-3,12-dihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside, 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9-dihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Technical Specifications
| Molecular Formula | C27H29NO9 |
| Molecular Weight | 511.18423 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 511.18423 Da |
| Heavy Atoms | 37 |
| Complexity | 928.0 |
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)(C(=O)C)O)N)O |
| InChIKey | ZCLQMQOBRBUQOR-UHFFFAOYSA-N |
Chemical Property Profile of 11-deoxydaunomycin
Property Insights of 11-deoxydaunomycin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-deoxydaunomycin. The TPSA of 166.0 Ų indicates high polarity, suggesting 11-deoxydaunomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11-deoxydaunomycin has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 11-deoxydaunomycin?
The CAS number of 11-deoxydaunomycin is 71800-91-4.
What is the molecular formula of 11-deoxydaunomycin?
The molecular formula of 11-deoxydaunomycin is C27H29NO9.
What is the molecular weight of 11-deoxydaunomycin?
The molecular weight of 11-deoxydaunomycin is 511.18423 g/mol.
Where can I buy 11-deoxydaunomycin?
You can request a quote for 11-deoxydaunomycin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 11-deoxydaunomycin?
Yes, CoreyChem provides custom synthesis services for 11-deoxydaunomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.