Quanolirone I
TL;DR: Quanolirone I (CAS 215712-53-1) is a chemical compound with molecular formula C37H42O13 and molecular weight 694.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-1,6,10-trihydroxy-8-methyltetracene-5,12-dione
Also Known As: Quanolirone I, 2-[4-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-1,6,10-trihydroxy-8-methyltetracene-5,12-dione, 2-{4-[5-(4,5-Dihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-6-methyl-tetrahydro-pyran-2-yloxy]-5-hydroxy-6-methyl-tetrahydro-pyran-2-yl}-1,6,10-trihydroxy-8-methyl-naphthacene-5,12-dione, 2-(4-(5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl)-1,6,10-trihydroxy-8-methyltetracene-5,12-dione, 2-[4-[5-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6-methyl-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-1,6,10-trihydroxy-8-methyl-tetracene-5,12-dione
| Molecular Formula | C37H42O13 |
|---|---|
| Molecular Weight | 694.26 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 694.2625 |
| Heavy Atoms | 50 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 215712-53-1 |
|---|---|
| SMILES | CC1C(CCC(O1)OC2CC(OC(C2O)C)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=C6C(=CC(=CC6=C5O)C)O)O)OC7CC(C(C(O7)C)O)O |
| InChIKey | WIJGEWVJMHOFER-UHFFFAOYSA-N |
Product Overview
Quanolirone I (CAS 215712-53-1), with molecular formula C37H42O13 and molecular weight 694.26 g/mol. IUPAC: 2-[4-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-1,6,10-trihydroxy-8-methyltetracene-5,12-dione.
Chemical Property Profile of Quanolirone I
Property Insights of Quanolirone I
The XLogP value of 4.3 indicates that Quanolirone I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting Quanolirone I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quanolirone I has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quanolirone I?
The CAS number of Quanolirone I is 215712-53-1.
What is the molecular formula of Quanolirone I?
The molecular formula of Quanolirone I is C37H42O13.
What is the molecular weight of Quanolirone I?
The molecular weight of Quanolirone I is 694.26 g/mol.
Where can I buy Quanolirone I?
You can request a quote for Quanolirone I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quanolirone I?
Yes, KEHONG BIO provides custom synthesis services for Quanolirone I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.