1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one
TL;DR: 1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one (CAS 6826-42-2) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3,6-trihydroxyphenyl)pent-3-en-1-one
Also Known As: Maltoryzine, Methinophosphide, 1-(2,3,6-trihydroxyphenyl)pent-3-en-1-one, 1-(4-Pentenoyl)-2,3,6-trihydroxybenzene, 3-Pentenophenone, 2',3',6'-trihydroxy-
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 6826-42-2 |
|---|---|
| SMILES | CC=CCC(=O)C1=C(C=CC(=C1O)O)O |
| InChIKey | WGGOBKYQLMXALJ-UHFFFAOYSA-N |
Product Overview
1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one (CAS 6826-42-2), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 1-(2,3,6-trihydroxyphenyl)pent-3-en-1-one.
Chemical Property Profile of 1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one
Property Insights of 1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one. Following Lipinski's Rule of Five, 1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one has 3 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 1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one?
The CAS number of 1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one is 6826-42-2.
What is the molecular formula of 1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one?
The molecular formula of 1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one is C11H12O4.
What is the molecular weight of 1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one?
The molecular weight of 1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one is 208.07 g/mol.
Where can I buy 1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one?
You can request a quote for 1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.