1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid
TL;DR: 1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid (CAS 860648-96-0) is a chemical compound with molecular formula C16H9Cl2I2NO2 and molecular weight 570.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dichlorophenyl)methyl]-3,5-diiodoindole-2-carboxylic acid
Also Known As: 1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid, 1-[(3,4-dichlorophenyl)methyl]-3,5-diiodoindole-2-carboxylic acid, 10X-0833, 1-[(3,4-dichlorophenyl)methyl]-3,5-diiodo-1H-indole-2-carboxylic acid, 1-[(3,4-dichlorophenyl)methyl]-3,5-diiodo-1H-indole-2-carboxylicacid
| Molecular Formula | C16H9Cl2I2NO2 |
|---|---|
| Molecular Weight | 570.81 g/mol |
| LogP | 5.9038 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 570.81 |
| Heavy Atoms | 23 |
| Complexity | 937.4652 |
Chemical Identifiers
| CAS Number | 860648-96-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1CN2C3=C(C=C(C=C3)I)C(=C2C(=O)O)I)Cl)Cl |
Product Overview
1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid (CAS 860648-96-0), with molecular formula C16H9Cl2I2NO2 and molecular weight 570.81 g/mol. IUPAC: 1-[(3,4-dichlorophenyl)methyl]-3,5-diiodoindole-2-carboxylic acid.
Chemical Property Profile of 1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid
Property Insights of 1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid
The XLogP value of 5.9038 indicates that 1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.23 Ų, 1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid?
The CAS number of 1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid is 860648-96-0.
What is the molecular formula of 1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid?
The molecular formula of 1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid is C16H9Cl2I2NO2.
What is the molecular weight of 1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid?
The molecular weight of 1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid is 570.81 g/mol.
Where can I buy 1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid?
You can request a quote for 1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dichlorobenzyl)-3,5-diiodo-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.