4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one
TL;DR: 4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one (CAS 3447-79-8) is a chemical compound with molecular formula C15H12O4 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-acetyl-3-methyl-1-benzofuran-5-yl)-2H-furan-5-one
Also Known As: 4- furan-2 -one, 4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one, 3-(2-acetyl-3-methyl-1-benzofuran-5-yl)-2H-furan-5-one, 4-(2-acetyl-3-methyl-1-benzofuran-5-yl)furan-2(5h)-one, 4-(2-Acetyl-3-methylbenzofuran-5-yl)furan-2(5H)-one
| Molecular Formula | C15H12O4 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.07355 |
| Heavy Atoms | 19 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 3447-79-8 |
|---|---|
| SMILES | CC1=C(OC2=C1C=C(C=C2)C3=CC(=O)OC3)C(=O)C |
| InChIKey | NVRKEBYMSCNBSF-UHFFFAOYSA-N |
Product Overview
4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one (CAS 3447-79-8), with molecular formula C15H12O4 and molecular weight 256.07 g/mol. IUPAC: 3-(2-acetyl-3-methyl-1-benzofuran-5-yl)-2H-furan-5-one.
Chemical Property Profile of 4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one
Property Insights of 4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one. With a topological polar surface area (TPSA) of 56.5 Ų, 4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one has 0 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 4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one?
The CAS number of 4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one is 3447-79-8.
What is the molecular formula of 4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one?
The molecular formula of 4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one is C15H12O4.
What is the molecular weight of 4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one?
The molecular weight of 4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one is 256.07 g/mol.
Where can I buy 4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one?
You can request a quote for 4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.