13-Dihydrodaunorubicin
TL;DR: 13-Dihydrodaunorubicin (CAS 28008-55-1) is a chemical compound with molecular formula C27H31NO10 and molecular weight 529.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Daunorubicinol, Daunomycinol, 13-Dihydrodaunorubicin, Duborimycin, Leukaemomycin D
| Molecular Formula | C27H31NO10 |
|---|---|
| Molecular Weight | 529.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 529.1948 |
| Heavy Atoms | 38 |
| Complexity | 918.0 |
Chemical Identifiers
| CAS Number | 28008-55-1 |
|---|---|
| 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(C)O)O)N)O |
| InChIKey | HJEZFVLKJYFNQW-FKKRWUELSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
13-Dihydrodaunorubicin (CAS 28008-55-1), with molecular formula C27H31NO10 and molecular weight 529.19 g/mol. IUPAC: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 13-Dihydrodaunorubicin
Property Insights of 13-Dihydrodaunorubicin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-Dihydrodaunorubicin. The TPSA of 189.0 Ų indicates high polarity, suggesting 13-Dihydrodaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 13-Dihydrodaunorubicin has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 13-Dihydrodaunorubicin?
The CAS number of 13-Dihydrodaunorubicin is 28008-55-1.
What is the molecular formula of 13-Dihydrodaunorubicin?
The molecular formula of 13-Dihydrodaunorubicin is C27H31NO10.
What is the molecular weight of 13-Dihydrodaunorubicin?
The molecular weight of 13-Dihydrodaunorubicin is 529.19 g/mol.
Where can I buy 13-Dihydrodaunorubicin?
You can request a quote for 13-Dihydrodaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Dihydrodaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for 13-Dihydrodaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.