4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one
TL;DR: 4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one (CAS 688801-83-4) is a chemical compound with molecular formula C16H18O4 and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one
Also Known As: 3-butoxy-4-(4-methylbenzoyl)-5H-furan-2-one, 3-butoxy-4-(4-methylbenzoyl)furan-2(5H)-one, 4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one
| Molecular Formula | C16H18O4 |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | 2.80532 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.1205 |
| Heavy Atoms | 20 |
| Complexity | 540.1002 |
Chemical Identifiers
| CAS Number | 688801-83-4 |
|---|---|
| SMILES | CCCCOC1=C(COC1=O)C(=O)C2=CC=C(C=C2)C |
Product Overview
4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one (CAS 688801-83-4), with molecular formula C16H18O4 and molecular weight 274.12 g/mol. IUPAC: 4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one.
Chemical Property Profile of 4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one
Property Insights of 4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one
The XLogP value of 2.80532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one. With a topological polar surface area (TPSA) of 52.6 Ų, 4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-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-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one?
The CAS number of 4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one is 688801-83-4.
What is the molecular formula of 4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one?
The molecular formula of 4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one is C16H18O4.
What is the molecular weight of 4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one?
The molecular weight of 4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one is 274.12 g/mol.
Where can I buy 4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one?
You can request a quote for 4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-butoxy-3-(4-methylbenzoyl)-2H-furan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.