13-Dihydrodoxorubicin
TL;DR: 13-Dihydrodoxorubicin (CAS 141434-67-5) is a chemical compound with molecular formula C27H31NO11 and molecular weight 545.1897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 13-Dihydrodoxorubicin, Adriamycinol, 13-Dihydroadriamycin, Adriamycinol, 13-Dihydrodoxorubicin, 7-[(4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Technical Specifications
| Molecular Formula | C27H31NO11 |
| Molecular Weight | 545.1897 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 209.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 545.1897 Da |
| Heavy Atoms | 39 |
| Complexity | 935.0 |
| SMILES | C[C@H]1[C@H]([C@H](CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)O)N)O |
| InChIKey | NKZRZOVSJNSBFR-CHSNQWSYSA-N |
Chemical Property Profile of 13-Dihydrodoxorubicin
Property Insights of 13-Dihydrodoxorubicin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-Dihydrodoxorubicin. The TPSA of 209.0 Ų indicates high polarity, suggesting 13-Dihydrodoxorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 13-Dihydrodoxorubicin has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 13-Dihydrodoxorubicin?
The CAS number of 13-Dihydrodoxorubicin is 141434-67-5.
What is the molecular formula of 13-Dihydrodoxorubicin?
The molecular formula of 13-Dihydrodoxorubicin is C27H31NO11.
What is the molecular weight of 13-Dihydrodoxorubicin?
The molecular weight of 13-Dihydrodoxorubicin is 545.1897 g/mol.
Where can I buy 13-Dihydrodoxorubicin?
You can request a quote for 13-Dihydrodoxorubicin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 13-Dihydrodoxorubicin?
Yes, CoreyChem provides custom synthesis services for 13-Dihydrodoxorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.