Xanthalin
TL;DR: Xanthalin (CAS 21800-48-6) is a chemical compound with molecular formula C24H26O7 and molecular weight 426.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4R)-2,2-dimethyl-3-[(E)-2-methylbut-2-enoyl]oxy-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl] (Z)-2-methylbut-2-enoate
Also Known As: Xanthalin, [(3R,4R)-2,2-dimethyl-3-[(E)-2-methylbut-2-enoyl]oxy-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl] (Z)-2-methylbut-2-enoate, ((3R,4R)-2,2-dimethyl-3-((E)-2-methylbut-2-enoyl)oxy-8-oxo-3,4-dihydropyrano(3,2-g)chromen-4-yl) (Z)-2-methylbut-2-enoate, 2-Butenoic acid, 2-methyl-, 7,8-dihydro-8,8-dimethyl-2-oxo-2H,6H-benzo(1,2-b:5,4-b')dipyran-6,7-diyl ester, (6R-(6alpha(Z),7alpha(Z)))-, RefChem:195105
| Molecular Formula | C24H26O7 |
|---|---|
| Molecular Weight | 426.17 g/mol |
| LogP | 4.3925 |
| Topological Polar Surface Area | 92.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.16785 |
| Heavy Atoms | 31 |
| Complexity | 1150.2173 |
Chemical Identifiers
| CAS Number | 21800-48-6 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@H]1[C@H](C(OC2=C1C=C3C=CC(=O)OC3=C2)(C)C)OC(=O)/C(=C/C)/C |
Product Overview
Xanthalin (CAS 21800-48-6), with molecular formula C24H26O7 and molecular weight 426.17 g/mol. IUPAC: [(3R,4R)-2,2-dimethyl-3-[(E)-2-methylbut-2-enoyl]oxy-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl] (Z)-2-methylbut-2-enoate.
Chemical Property Profile of Xanthalin
Property Insights of Xanthalin
The XLogP value of 4.3925 indicates that Xanthalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthalin. Following Lipinski's Rule of Five, Xanthalin has 0 hydrogen bond donor(s) and 7 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 Xanthalin?
The CAS number of Xanthalin is 21800-48-6.
What is the molecular formula of Xanthalin?
The molecular formula of Xanthalin is C24H26O7.
What is the molecular weight of Xanthalin?
The molecular weight of Xanthalin is 426.17 g/mol.
Where can I buy Xanthalin?
You can request a quote for Xanthalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthalin?
Yes, KEHONG BIO provides custom synthesis services for Xanthalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.