Encecalol
TL;DR: Encecalol (CAS 88728-56-7) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanol
Also Known As: Encecalol, 1-(7-methoxy-2,2-dimethyl-chromen-6-yl)ethanol, 1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanol, 6-(1-hydroxyethyl)-7-methoxy-2,2-dimethylchromene, 1-(7-methoxy-2,2-dimethyl-2H-chromen-6-yl)ethanol
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 88728-56-7 |
|---|---|
| SMILES | CC(C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC)O |
| InChIKey | ZMQPULSGBXIVGC-UHFFFAOYSA-N |
Product Overview
Encecalol (CAS 88728-56-7), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: 1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanol.
Chemical Property Profile of Encecalol
Property Insights of Encecalol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Encecalol. With a topological polar surface area (TPSA) of 38.7 Ų, Encecalol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Encecalol 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 Encecalol?
The CAS number of Encecalol is 88728-56-7.
What is the molecular formula of Encecalol?
The molecular formula of Encecalol is C14H18O3.
What is the molecular weight of Encecalol?
The molecular weight of Encecalol is 234.13 g/mol.
Where can I buy Encecalol?
You can request a quote for Encecalol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Encecalol?
Yes, KEHONG BIO provides custom synthesis services for Encecalol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.