1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone
TL;DR: 1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone (CAS 70883-13-5) is a chemical compound with molecular formula C17H16O6 and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone
Also Known As: 1,3-benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone, 5-(3,4,5-Trimethoxybenzoyl)-1,3-benzodioxole, 1,3-benzodioxol-5-yl(3,4,5-trimethoxyphenyl)methanone, Methanone,1,3-benzodioxol-5-yl(3,4,5-trimethoxyphenyl)-, 5-(3,4,5-TRIMETHOXYBENZOYL)-2H-1,3-BENZODIOXOLE
| Molecular Formula | C17H16O6 |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.0947 |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 70883-13-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC3=C(C=C2)OCO3 |
| InChIKey | OIUSXYOSZDCLLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone (CAS 70883-13-5), with molecular formula C17H16O6 and molecular weight 316.09 g/mol. IUPAC: 1,3-benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of 1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone
Property Insights of 1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone
The XLogP value of 3.0 indicates that 1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone has 0 hydrogen bond donor(s) and 6 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 1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone?
The CAS number of 1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone is 70883-13-5.
What is the molecular formula of 1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone?
The molecular formula of 1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone is C17H16O6.
What is the molecular weight of 1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone?
The molecular weight of 1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone is 316.09 g/mol.
Where can I buy 1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone?
You can request a quote for 1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.