4-Demethoxydoxorubicinone
TL;DR: 4-Demethoxydoxorubicinone (CAS 86333-80-4) is a chemical compound with molecular formula C20H16O8 and molecular weight 384.08 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-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 4-Demethoxyadriamycinone, 4-Demethoxydoxorubicinone, KST-1A8936, (7S-cis)-7,8,9,10-Tetrahydro-6,7,9,11-tetrahydroxy-9-(hydroxyacetyl)-5,12-naphthacenedione, (7S,9S)-6,7,9,11-tetrahydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C20H16O8 |
|---|---|
| Molecular Weight | 384.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.0845 |
| Heavy Atoms | 28 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 86333-80-4 |
|---|---|
| SMILES | C1[C@@H](C2=C(C[C@]1(C(=O)CO)O)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)O |
| InChIKey | MWROBUNHUAIFQH-YBTHPKLGSA-N |
Product Overview
4-Demethoxydoxorubicinone (CAS 86333-80-4), with molecular formula C20H16O8 and molecular weight 384.08 g/mol. IUPAC: (7S,9S)-6,7,9,11-tetrahydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 4-Demethoxydoxorubicinone
Property Insights of 4-Demethoxydoxorubicinone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Demethoxydoxorubicinone. The TPSA of 152.0 Ų indicates high polarity, suggesting 4-Demethoxydoxorubicinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Demethoxydoxorubicinone 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 4-Demethoxydoxorubicinone?
The CAS number of 4-Demethoxydoxorubicinone is 86333-80-4.
What is the molecular formula of 4-Demethoxydoxorubicinone?
The molecular formula of 4-Demethoxydoxorubicinone is C20H16O8.
What is the molecular weight of 4-Demethoxydoxorubicinone?
The molecular weight of 4-Demethoxydoxorubicinone is 384.08 g/mol.
Where can I buy 4-Demethoxydoxorubicinone?
You can request a quote for 4-Demethoxydoxorubicinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Demethoxydoxorubicinone?
Yes, KEHONG BIO provides custom synthesis services for 4-Demethoxydoxorubicinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.