Eupatoriochromene
TL;DR: Eupatoriochromene (CAS 19013-03-7) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7-hydroxy-2,2-dimethylchromen-6-yl)ethanone
Also Known As: Eupatoriochromene, Desmethylencecalin, DEMETHYLENCECALIN, Demethoxyencecalin, 7-demethylencecalin
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 19013-03-7 |
|---|---|
| SMILES | CC(=O)C1=C(C=C2C(=C1)C=CC(O2)(C)C)O |
| InChIKey | SVUVYHFYZBCYRF-UHFFFAOYSA-N |
Product Overview
Eupatoriochromene (CAS 19013-03-7), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 1-(7-hydroxy-2,2-dimethylchromen-6-yl)ethanone.
Chemical Property Profile of Eupatoriochromene
Property Insights of Eupatoriochromene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Eupatoriochromene. With a topological polar surface area (TPSA) of 46.5 Ų, Eupatoriochromene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Eupatoriochromene has 1 hydrogen bond donor(s) and 3 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 Eupatoriochromene?
The CAS number of Eupatoriochromene is 19013-03-7.
What is the molecular formula of Eupatoriochromene?
The molecular formula of Eupatoriochromene is C13H14O3.
What is the molecular weight of Eupatoriochromene?
The molecular weight of Eupatoriochromene is 218.09 g/mol.
Where can I buy Eupatoriochromene?
You can request a quote for Eupatoriochromene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eupatoriochromene?
Yes, KEHONG BIO provides custom synthesis services for Eupatoriochromene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.