Xanthumin
TL;DR: Xanthumin (CAS 26791-72-0) is a chemical compound with molecular formula C17H22O5 and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R)-1-[(3aR,7S,8aR)-7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]-3-oxobutyl] acetate
Also Known As: Xanthumin, Xanthinin, [(1R)-1-[(3aR,7S,8aR)-7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]-3-oxobutyl] acetate, ((1R)-1-((3aR,7S,8aR)-7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta(b)furan-6-yl)-3-oxobutyl) acetate, (1R)-1-[(3aR,7S,8aR)-7-methyl-3-methylidene-2-oxo-2H,3H,3aH,4H,7H,8H,8aH-cyclohepta[b]furan-6-yl]-3-oxobutyl acetate
| Molecular Formula | C17H22O5 |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.14673 |
| Heavy Atoms | 22 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 26791-72-0 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H](CC=C1[C@@H](CC(=O)C)OC(=O)C)C(=C)C(=O)O2 |
| InChIKey | DPSCQKGSAHTWSP-LDYRWJSCSA-N |
Product Overview
Xanthumin (CAS 26791-72-0), with molecular formula C17H22O5 and molecular weight 306.15 g/mol. IUPAC: [(1R)-1-[(3aR,7S,8aR)-7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]-3-oxobutyl] acetate.
Chemical Property Profile of Xanthumin
Property Insights of Xanthumin
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xanthumin. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthumin. Following Lipinski's Rule of Five, Xanthumin has 0 hydrogen bond donor(s) and 5 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 Xanthumin?
The CAS number of Xanthumin is 26791-72-0.
What is the molecular formula of Xanthumin?
The molecular formula of Xanthumin is C17H22O5.
What is the molecular weight of Xanthumin?
The molecular weight of Xanthumin is 306.15 g/mol.
Where can I buy Xanthumin?
You can request a quote for Xanthumin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthumin?
Yes, KEHONG BIO provides custom synthesis services for Xanthumin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.