Gregatin E
TL;DR: Gregatin E (CAS 58785-76-5) is a chemical compound with molecular formula C14H18O5 and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-2-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-5-methoxy-2-methylfuran-3-one
Also Known As: Gregatin E, 3(2H)-Furanone, 4-acetyl-2-(5-hydroxy-1,3-hexadienyl)-5-methoxy-2-methyl-, 4-acetyl-2-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-5-methoxy-2-methylfuran-3-one, RefChem:144408
| Molecular Formula | C14H18O5 |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 1.2846 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.11542 |
| Heavy Atoms | 19 |
| Complexity | 470.228 |
Chemical Identifiers
| CAS Number | 58785-76-5 |
|---|---|
| SMILES | CC(/C=C/C=C/C1(C(=O)C(=C(O1)OC)C(=O)C)C)O |
Product Overview
Gregatin E (CAS 58785-76-5), with molecular formula C14H18O5 and molecular weight 266.12 g/mol. IUPAC: 4-acetyl-2-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-5-methoxy-2-methylfuran-3-one.
Chemical Property Profile of Gregatin E
Property Insights of Gregatin E
The XLogP value of 1.2846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gregatin E. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Gregatin E. Following Lipinski's Rule of Five, Gregatin E has 1 hydrogen bond donor(s) and 5 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 Gregatin E?
The CAS number of Gregatin E is 58785-76-5.
What is the molecular formula of Gregatin E?
The molecular formula of Gregatin E is C14H18O5.
What is the molecular weight of Gregatin E?
The molecular weight of Gregatin E is 266.12 g/mol.
Where can I buy Gregatin E?
You can request a quote for Gregatin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gregatin E?
Yes, KEHONG BIO provides custom synthesis services for Gregatin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.