Methylxanthoxylin
TL;DR: Methylxanthoxylin (CAS 23121-32-6) is a chemical compound with molecular formula C11H14O4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)ethanone
Also Known As: METHYLXANTHOXYLIN, Methylxanthoxyline, 3-Methylxanthoxylin, 1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)ethan-1-one, 1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)ethanone
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 23121-32-6 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1OC)OC)C(=O)C)O |
| InChIKey | AAOFJKLTRKOQTQ-UHFFFAOYSA-N |
Product Overview
Methylxanthoxylin (CAS 23121-32-6), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: 1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)ethanone.
Chemical Property Profile of Methylxanthoxylin
Property Insights of Methylxanthoxylin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylxanthoxylin. With a topological polar surface area (TPSA) of 55.8 Ų, Methylxanthoxylin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylxanthoxylin has 1 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 Methylxanthoxylin?
The CAS number of Methylxanthoxylin is 23121-32-6.
What is the molecular formula of Methylxanthoxylin?
The molecular formula of Methylxanthoxylin is C11H14O4.
What is the molecular weight of Methylxanthoxylin?
The molecular weight of Methylxanthoxylin is 210.09 g/mol.
Where can I buy Methylxanthoxylin?
You can request a quote for Methylxanthoxylin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylxanthoxylin?
Yes, KEHONG BIO provides custom synthesis services for Methylxanthoxylin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.