Encecalinol
TL;DR: Encecalinol (CAS 88729-55-9) 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.
(1R)-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanol
Also Known As: encecalinol, Cycloheptatrienylium, heptafluoro-, EX-A8818, HY-N12405, 1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanol
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.9327 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 458.78027 |
Chemical Identifiers
| CAS Number | 88729-55-9 |
|---|---|
| SMILES | C[C@H](C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC)O |
Product Overview
Encecalinol (CAS 88729-55-9), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: (1R)-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanol.
Chemical Property Profile of Encecalinol
Property Insights of Encecalinol
The XLogP value of 2.9327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Encecalinol. With a topological polar surface area (TPSA) of 38.69 Ų, Encecalinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Encecalinol 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 Encecalinol?
The CAS number of Encecalinol is 88729-55-9.
What is the molecular formula of Encecalinol?
The molecular formula of Encecalinol is C14H18O3.
What is the molecular weight of Encecalinol?
The molecular weight of Encecalinol is 234.13 g/mol.
Where can I buy Encecalinol?
You can request a quote for Encecalinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Encecalinol?
Yes, KEHONG BIO provides custom synthesis services for Encecalinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.