Xanthoxyletin
TL;DR: Xanthoxyletin (CAS 84-99-1) is a chemical compound with molecular formula C15H14O4 and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
Also Known As: Xanthoxyletin, Xanthoxylin N, Xanthoxyloin, XANTHOXYLETIN [MI], NSC 35542; Xanthoxylin N
| Molecular Formula | C15H14O4 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.0892 |
| Heavy Atoms | 19 |
| Complexity | 437.0 |
| Melting Point | 133 °C |
| Solubility | 40 mg/L @ 25 °C (exp) |
Chemical Identifiers
| CAS Number | 84-99-1 |
|---|---|
| SMILES | CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C |
| InChIKey | JSJIIHRNDMLJGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Xanthoxyletin (CAS 84-99-1), with molecular formula C15H14O4 and molecular weight 258.09 g/mol. IUPAC: 5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one.
Chemical Property Profile of Xanthoxyletin
Property Insights of Xanthoxyletin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xanthoxyletin. With a topological polar surface area (TPSA) of 44.8 Ų, Xanthoxyletin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xanthoxyletin has 0 hydrogen bond donor(s) and 4 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 Xanthoxyletin?
The CAS number of Xanthoxyletin is 84-99-1.
What is the molecular formula of Xanthoxyletin?
The molecular formula of Xanthoxyletin is C15H14O4.
What is the molecular weight of Xanthoxyletin?
The molecular weight of Xanthoxyletin is 258.09 g/mol.
Where can I buy Xanthoxyletin?
You can request a quote for Xanthoxyletin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthoxyletin?
Yes, KEHONG BIO provides custom synthesis services for Xanthoxyletin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.