1-(2-chloro-4,5-methylenedioxybenzyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid
TL;DR: 1-(2-chloro-4,5-methylenedioxybenzyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid (CAS 158072-71-0) is a chemical compound with molecular formula C24H18ClNO5 and molecular weight 435.08734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)indole-2-carboxylic acid
Also Known As: 1-(2-chloro-4,5-methylenedioxybenzyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid, 1-[(6-chlorobenzo[1,3]dioxol-5-yl)methyl]-3-(4-methoxyphenyl)indole-2-carboxylic Acid, 1-((6-Chlorobenzo[d][1,3]dioxol-5-yl)methyl)-3-(4-methoxyphenyl)-1H-indole-2-carboxylic acid
Technical Specifications
| Molecular Formula | C24H18ClNO5 |
| Molecular Weight | 435.08734 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 69.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.08734 Da |
| Heavy Atoms | 31 |
| Complexity | 641.0 |
| SMILES | COC1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O |
| InChIKey | MCUOFBADDKQTDL-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-chloro-4,5-methylenedioxybenzyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid
Property Insights of 1-(2-chloro-4,5-methylenedioxybenzyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid
The XLogP value of 5.5 indicates that 1-(2-chloro-4,5-methylenedioxybenzyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-chloro-4,5-methylenedioxybenzyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid. Following Lipinski's Rule of Five, 1-(2-chloro-4,5-methylenedioxybenzyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-(2-chloro-4,5-methylenedioxybenzyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid?
The CAS number of 1-(2-chloro-4,5-methylenedioxybenzyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid is 158072-71-0.
What is the molecular formula of 1-(2-chloro-4,5-methylenedioxybenzyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid?
The molecular formula of 1-(2-chloro-4,5-methylenedioxybenzyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid is C24H18ClNO5.
What is the molecular weight of 1-(2-chloro-4,5-methylenedioxybenzyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid?
The molecular weight of 1-(2-chloro-4,5-methylenedioxybenzyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid is 435.08734 g/mol.
Where can I buy 1-(2-chloro-4,5-methylenedioxybenzyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid?
You can request a quote for 1-(2-chloro-4,5-methylenedioxybenzyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-chloro-4,5-methylenedioxybenzyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-(2-chloro-4,5-methylenedioxybenzyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.