1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)-
TL;DR: 1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)- (CAS 22042-77-9) is a chemical compound with molecular formula C18H16O5 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4,5-trimethoxyphenyl)indene-1,3-dione
Also Known As: 2-(3,4,5-Trimethoxyphenyl)-1,3-indandione, 2-(3,4,5-trimethoxyphenyl)-1h-indene-1,3(2h)-dione, 2-(3,4,5-trimethoxyphenyl)indene-1,3-dione, 1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)-, J1.739.963B
| Molecular Formula | C18H16O5 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.09976 |
| Heavy Atoms | 23 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 22042-77-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | HXYXFQRJJLENLX-UHFFFAOYSA-N |
Product Overview
1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)- (CAS 22042-77-9), with molecular formula C18H16O5 and molecular weight 312.10 g/mol. IUPAC: 2-(3,4,5-trimethoxyphenyl)indene-1,3-dione.
Chemical Property Profile of 1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)-
Property Insights of 1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)-. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)-. Following Lipinski's Rule of Five, 1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)- 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 1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)-?
The CAS number of 1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)- is 22042-77-9.
What is the molecular formula of 1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)-?
The molecular formula of 1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)- is C18H16O5.
What is the molecular weight of 1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)-?
The molecular weight of 1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)- is 312.10 g/mol.
Where can I buy 1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)-?
You can request a quote for 1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.