Leukaemomycinone D
TL;DR: Leukaemomycinone D (CAS 28008-51-7) is a chemical compound with molecular formula C21H20O8 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-6,7,9,11-tetrahydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Leukaemomycinone D, Dihydrodaunomycinone, Daunorubicinol aglycone, Daunorubicin EP Impurity E, 13-DIHYDRODAUNORUBICINONE
| Molecular Formula | C21H20O8 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.1158 |
| Heavy Atoms | 29 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 28008-51-7 |
|---|---|
| SMILES | CC([C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O)O)O |
| InChIKey | OWCHPBVMSHIYCQ-VNMREYGJSA-N |
Product Overview
Leukaemomycinone D (CAS 28008-51-7), with molecular formula C21H20O8 and molecular weight 400.12 g/mol. IUPAC: (7S,9S)-6,7,9,11-tetrahydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Leukaemomycinone D
Property Insights of Leukaemomycinone D
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Leukaemomycinone D. The TPSA of 145.0 Ų indicates high polarity, suggesting Leukaemomycinone D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Leukaemomycinone D has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Leukaemomycinone D?
The CAS number of Leukaemomycinone D is 28008-51-7.
What is the molecular formula of Leukaemomycinone D?
The molecular formula of Leukaemomycinone D is C21H20O8.
What is the molecular weight of Leukaemomycinone D?
The molecular weight of Leukaemomycinone D is 400.12 g/mol.
Where can I buy Leukaemomycinone D?
You can request a quote for Leukaemomycinone D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Leukaemomycinone D?
Yes, KEHONG BIO provides custom synthesis services for Leukaemomycinone D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.