![[5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid structure](/static/products/2016/20168-99-4.webp)
[5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid
TL;DR: [5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid (CAS 20168-99-4) is a chemical compound with molecular formula C21H19NO4 and molecular weight 349.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-methoxy-2-methyl-1-(3-phenylprop-2-enoyl)indol-3-yl]acetic acid
Also Known As: Cinmetacin, Indolacin, [5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid, 1H-Indole-3-acetic acid, 5-methoxy-2-methyl-1-(1-oxo-3-phenyl-2-propen-1-yl)-, 1H-Indole-3-aceticacid, 5-methoxy-2-methyl-1-(1-oxo-3-phenyl-2-propen-1-yl)-
| Molecular Formula | C21H19NO4 |
|---|---|
| Molecular Weight | 349.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.1314 |
| Heavy Atoms | 26 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 20168-99-4 |
|---|---|
| SMILES | CC1=C(C2=C(N1C(=O)C=CC3=CC=CC=C3)C=CC(=C2)OC)CC(=O)O |
| InChIKey | NKPPORKKCMYYTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid (CAS 20168-99-4), with molecular formula C21H19NO4 and molecular weight 349.13 g/mol. IUPAC: 2-[5-methoxy-2-methyl-1-(3-phenylprop-2-enoyl)indol-3-yl]acetic acid.
Chemical Property Profile of [5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid
Property Insights of [5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid
The XLogP value of 4.1 indicates that [5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid. Following Lipinski's Rule of Five, [5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]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 [5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid?
The CAS number of [5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid is 20168-99-4.
What is the molecular formula of [5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid?
The molecular formula of [5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid is C21H19NO4.
What is the molecular weight of [5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid?
The molecular weight of [5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid is 349.13 g/mol.
Where can I buy [5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid?
You can request a quote for [5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)-1H-indol-3-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.