Alloevodionol
TL;DR: Alloevodionol (CAS 544423-71-4) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-8-yl)ethanone
Also Known As: ALLOEVODIONOL, alloevodinol, allo-Evodionol, 1- ETHANONE, Ethanone,2-dimethyl-2H-1-benzopyran-8-yl)-
| Molecular Formula | C14H16O4 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.10486 |
| Heavy Atoms | 18 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 544423-71-4 |
|---|---|
| SMILES | CC(=O)C1=C2C(=C(C=C1O)OC)C=CC(O2)(C)C |
| InChIKey | LTDSNAYFLFUPPT-UHFFFAOYSA-N |
Product Overview
Alloevodionol (CAS 544423-71-4), with molecular formula C14H16O4 and molecular weight 248.10 g/mol. IUPAC: 1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-8-yl)ethanone.
Chemical Property Profile of Alloevodionol
Property Insights of Alloevodionol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alloevodionol. With a topological polar surface area (TPSA) of 55.8 Ų, Alloevodionol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alloevodionol 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 Alloevodionol?
The CAS number of Alloevodionol is 544423-71-4.
What is the molecular formula of Alloevodionol?
The molecular formula of Alloevodionol is C14H16O4.
What is the molecular weight of Alloevodionol?
The molecular weight of Alloevodionol is 248.10 g/mol.
Where can I buy Alloevodionol?
You can request a quote for Alloevodionol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alloevodionol?
Yes, KEHONG BIO provides custom synthesis services for Alloevodionol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.