1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
TL;DR: 1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone (CAS 99981-13-2) is a chemical compound with molecular formula C18H18O6 and molecular weight 330.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
Also Known As: NCI60_016815, J1.167.561A, 1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone, 5-(3,4,5-Trimethoxyphenylacetyl)-1,3-benzodioxole, 1-(1,3-Benzodioxole-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
| Molecular Formula | C18H18O6 |
|---|---|
| Molecular Weight | 330.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.11035 |
| Heavy Atoms | 24 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 99981-13-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC(=O)C2=CC3=C(C=C2)OCO3 |
| InChIKey | SINXJNIEDLFUNK-UHFFFAOYSA-N |
Product Overview
1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone (CAS 99981-13-2), with molecular formula C18H18O6 and molecular weight 330.11 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
Property Insights of 1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone 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-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone is 99981-13-2.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone is C18H18O6.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone is 330.11 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.