![5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one structure](/static/products/7461/7461-03-2.webp)
5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
TL;DR: 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one (CAS 7461-03-2) 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.
5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Also Known As: 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one, 5-(3,4,5-Trimethoxyphenyl)-4,8,10,10a-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(3aH)-one
| Molecular Formula | C22H22O7 |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.13657 |
| Heavy Atoms | 29 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 7461-03-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=C3CC4C(CC3=CC5=C2C(=O)OC5)OCO4 |
| InChIKey | JTQAEGZUEIZJEV-UHFFFAOYSA-N |
Product Overview
5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one (CAS 7461-03-2), with molecular formula C22H22O7 and molecular weight 398.14 g/mol. IUPAC: 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one.
Chemical Property Profile of 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Property Insights of 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one. Following Lipinski's Rule of Five, 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one 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 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one?
The CAS number of 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one is 7461-03-2.
What is the molecular formula of 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one?
The molecular formula of 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one is C22H22O7.
What is the molecular weight of 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one?
The molecular weight of 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one is 398.14 g/mol.
Where can I buy 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one?
You can request a quote for 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.