1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid
TL;DR: 1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid (CAS 23456-71-5) is a chemical compound with molecular formula C20H19ClN2O3 and molecular weight 370.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-chlorobenzoyl)-5-(dimethylamino)-2-methylindol-3-yl]acetic acid
Also Known As: 1-(p-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid, 1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid, 1-(4-chlorobenzoyl)-5-dimethylamino-2-methylindole-3-acetic acid, 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-(dimethylamino)-2-methyl-, 2-[1-(4-chlorobenzoyl)-5-(dimethylamino)-2-methylindol-3-yl]acetic acid
| Molecular Formula | C20H19ClN2O3 |
|---|---|
| Molecular Weight | 370.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 62.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.10843 |
| Heavy Atoms | 26 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 23456-71-5 |
|---|---|
| SMILES | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)N(C)C)CC(=O)O |
| InChIKey | SUSOIBZGVNNEFL-UHFFFAOYSA-N |
Product Overview
1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid (CAS 23456-71-5), with molecular formula C20H19ClN2O3 and molecular weight 370.11 g/mol. IUPAC: 2-[1-(4-chlorobenzoyl)-5-(dimethylamino)-2-methylindol-3-yl]acetic acid.
Chemical Property Profile of 1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid
Property Insights of 1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid
The XLogP value of 4.4 indicates that 1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid. Following Lipinski's Rule of Five, 1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid has 1 hydrogen bond donor(s) and 4 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-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid?
The CAS number of 1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid is 23456-71-5.
What is the molecular formula of 1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid?
The molecular formula of 1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid is C20H19ClN2O3.
What is the molecular weight of 1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid?
The molecular weight of 1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid is 370.11 g/mol.
Where can I buy 1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid?
You can request a quote for 1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorobenzoyl)-5-dimethylamino-2-methylindole acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.