5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran
TL;DR: 5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran (CAS 26296-56-0) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone
Also Known As: TOXOL, 3-Hydroxytremetone, Coumarin i,-Propen, 5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran, 2,3-Dihydro-5-acetyl-2-(1-methylethenyl)benzofuran-3-ol
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 26296-56-0 |
|---|---|
| SMILES | CC(=C)C1C(C2=C(O1)C=CC(=C2)C(=O)C)O |
| InChIKey | KWZYQHQNOWRQRG-UHFFFAOYSA-N |
Product Overview
5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran (CAS 26296-56-0), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 1-(3-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone.
Chemical Property Profile of 5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran
Property Insights of 5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran. With a topological polar surface area (TPSA) of 46.5 Ų, 5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran 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 5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran?
The CAS number of 5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran is 26296-56-0.
What is the molecular formula of 5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran?
The molecular formula of 5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran is C13H14O3.
What is the molecular weight of 5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran?
The molecular weight of 5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran is 218.09 g/mol.
Where can I buy 5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran?
You can request a quote for 5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.