4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone
TL;DR: 4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone (CAS 3448-13-3) is a chemical compound with molecular formula C15H14O4 and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1-hydroxyethyl)-3-methyl-1-benzofuran-5-yl]-2H-furan-5-one
Also Known As: Benfurodil, 3-[2-(1-hydroxyethyl)-3-methyl-1-benzofuran-5-yl]-2H-furan-5-one, 4-[2-3-methyl-5-benzofuryl]furan-2 -one, 4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuryl)furan-2(5H)-one, 4-[2- -3-methyl-5-benzofuryl]furan-2 -one
| Molecular Formula | C15H14O4 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0892 |
| Heavy Atoms | 19 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 3448-13-3 |
|---|---|
| SMILES | CC1=C(OC2=C1C=C(C=C2)C3=CC(=O)OC3)C(C)O |
| InChIKey | MQNWWJVIEQBJJO-UHFFFAOYSA-N |
Product Overview
4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone (CAS 3448-13-3), with molecular formula C15H14O4 and molecular weight 258.09 g/mol. IUPAC: 3-[2-(1-hydroxyethyl)-3-methyl-1-benzofuran-5-yl]-2H-furan-5-one.
Chemical Property Profile of 4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone
Property Insights of 4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone. With a topological polar surface area (TPSA) of 59.7 Ų, 4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone has 1 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-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone?
The CAS number of 4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone is 3448-13-3.
What is the molecular formula of 4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone?
The molecular formula of 4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone is C15H14O4.
What is the molecular weight of 4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone?
The molecular weight of 4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone is 258.09 g/mol.
Where can I buy 4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone?
You can request a quote for 4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(1-Hydroxyethyl)-3-methyl-5-benzofuranyl)-2(5H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.