6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one
TL;DR: 6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one (CAS 301676-66-4) is a chemical compound with molecular formula C14H16O5 and molecular weight 264.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-3-(2-oxobutyl)-3H-2-benzofuran-1-one
Also Known As: 6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one, 6,7-dimethoxy-3-(2-oxobutyl)-2-benzofuran-1(3H)-one, 6,7-dimethoxy-3-(2-oxobutyl)-3H-2-benzofuran-1-one
| Molecular Formula | C14H16O5 |
|---|---|
| Molecular Weight | 264.10 g/mol |
| LogP | 2.2845 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.09976 |
| Heavy Atoms | 19 |
| Complexity | 520.81274 |
Chemical Identifiers
| CAS Number | 301676-66-4 |
|---|---|
| SMILES | CCC(=O)CC1C2=C(C(=C(C=C2)OC)OC)C(=O)O1 |
Product Overview
6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one (CAS 301676-66-4), with molecular formula C14H16O5 and molecular weight 264.10 g/mol. IUPAC: 6,7-dimethoxy-3-(2-oxobutyl)-3H-2-benzofuran-1-one.
Chemical Property Profile of 6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one
Property Insights of 6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one
The XLogP value of 2.2845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one. Following Lipinski's Rule of Five, 6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one has 0 hydrogen bond donor(s) and 5 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 6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one?
The CAS number of 6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one is 301676-66-4.
What is the molecular formula of 6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one?
The molecular formula of 6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one is C14H16O5.
What is the molecular weight of 6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one?
The molecular weight of 6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one is 264.10 g/mol.
Where can I buy 6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one?
You can request a quote for 6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dimethoxy-3-(2-oxobutyl)isobenzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.