7-Deoxydoxorubicinone
TL;DR: 7-Deoxydoxorubicinone (CAS 38554-25-5) is a chemical compound with molecular formula C21H18O8 and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9R)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 7-Deoxydoxorubicinone, 7-Deoxyadriamycin aglycone, 7-Deoxyadriamycinone, 7-Deoxydoxorubicin aglycone, Adriamycin 7-deoxyaglycone
| Molecular Formula | C21H18O8 |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.10016 |
| Heavy Atoms | 29 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 38554-25-5 |
|---|---|
| SMILES | COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@](CC4)(C(=O)CO)O)C(=C3C2=O)O)O |
| InChIKey | QHGFPRZWWKUHKF-OAQYLSRUSA-N |
Product Overview
7-Deoxydoxorubicinone (CAS 38554-25-5), with molecular formula C21H18O8 and molecular weight 398.10 g/mol. IUPAC: (9R)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 7-Deoxydoxorubicinone
Property Insights of 7-Deoxydoxorubicinone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Deoxydoxorubicinone. The TPSA of 141.0 Ų indicates high polarity, suggesting 7-Deoxydoxorubicinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Deoxydoxorubicinone has 4 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 7-Deoxydoxorubicinone?
The CAS number of 7-Deoxydoxorubicinone is 38554-25-5.
What is the molecular formula of 7-Deoxydoxorubicinone?
The molecular formula of 7-Deoxydoxorubicinone is C21H18O8.
What is the molecular weight of 7-Deoxydoxorubicinone?
The molecular weight of 7-Deoxydoxorubicinone is 398.10 g/mol.
Where can I buy 7-Deoxydoxorubicinone?
You can request a quote for 7-Deoxydoxorubicinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Deoxydoxorubicinone?
Yes, KEHONG BIO provides custom synthesis services for 7-Deoxydoxorubicinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.