1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone
TL;DR: 1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone (CAS 117233-19-9) is a chemical compound with molecular formula C22H22O7 and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-methyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone
Also Known As: 1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone, Ethanone, 1-(6-methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)-, 1-[6-methyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone, 1-[8-(3,4,5-Trimethoxyphenyl)-6-methyl-8H-1,3-dioxolo[4,5-g][1]benzopyran-7-yl]ethanone, 1-[6-Methyl-8-(3,4,5-trimethoxyphenyl)-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-yl]ethan-1-one
| Molecular Formula | C22H22O7 |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.13657 |
| Heavy Atoms | 29 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 117233-19-9 |
|---|---|
| SMILES | CC1=C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C |
| InChIKey | BNPBTCRKVWFLHV-UHFFFAOYSA-N |
Product Overview
1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone (CAS 117233-19-9), with molecular formula C22H22O7 and molecular weight 398.14 g/mol. IUPAC: 1-[6-methyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone.
Chemical Property Profile of 1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone
Property Insights of 1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone
The XLogP value of 3.3 indicates that 1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone. Following Lipinski's Rule of Five, 1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone has 0 hydrogen bond donor(s) and 7 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 1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone?
The CAS number of 1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone is 117233-19-9.
What is the molecular formula of 1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone?
The molecular formula of 1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone is C22H22O7.
What is the molecular weight of 1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone?
The molecular weight of 1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone is 398.14 g/mol.
Where can I buy 1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone?
You can request a quote for 1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.