11-O-Demethylpradinone I
TL;DR: 11-O-Demethylpradinone I (CAS 132971-63-2) is a chemical compound with molecular formula C24H16O10 and molecular weight 464.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6S)-1,5,6,9,11,14-hexahydroxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
Also Known As: Pradimicin M, 11-O-Demethylpradinone I, 11-O-Demethylpradinone, (5S,6S)-1,5,6,9,11,14-hexahydroxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid, benzo[a]naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-1,5,6,9,11,14-hexahydroxy-3-methyl-8,13-dioxo-,(5s,6s)-
| Molecular Formula | C24H16O10 |
|---|---|
| Molecular Weight | 464.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 464.07434 |
| Heavy Atoms | 34 |
| Complexity | 876.0 |
Chemical Identifiers
| CAS Number | 132971-63-2 |
|---|---|
| SMILES | CC1=CC2=C(C3=C(C4=C(C=C3[C@@H]([C@H]2O)O)C(=O)C5=C(C4=O)C=C(C=C5O)O)O)C(=C1C(=O)O)O |
| InChIKey | ROFMCMXCPNFONV-SFTDATJTSA-N |
Product Overview
11-O-Demethylpradinone I (CAS 132971-63-2), with molecular formula C24H16O10 and molecular weight 464.07 g/mol. IUPAC: (5S,6S)-1,5,6,9,11,14-hexahydroxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid.
Chemical Property Profile of 11-O-Demethylpradinone I
Property Insights of 11-O-Demethylpradinone I
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-O-Demethylpradinone I. The TPSA of 193.0 Ų indicates high polarity, suggesting 11-O-Demethylpradinone I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11-O-Demethylpradinone I has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-O-Demethylpradinone I?
The CAS number of 11-O-Demethylpradinone I is 132971-63-2.
What is the molecular formula of 11-O-Demethylpradinone I?
The molecular formula of 11-O-Demethylpradinone I is C24H16O10.
What is the molecular weight of 11-O-Demethylpradinone I?
The molecular weight of 11-O-Demethylpradinone I is 464.07 g/mol.
Where can I buy 11-O-Demethylpradinone I?
You can request a quote for 11-O-Demethylpradinone I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-O-Demethylpradinone I?
Yes, KEHONG BIO provides custom synthesis services for 11-O-Demethylpradinone I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.