(5-Ethyl-2-methyl-1H-indol-3-YL)-acetic acid
TL;DR: (5-Ethyl-2-methyl-1H-indol-3-YL)-acetic acid (CAS 299166-69-1) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-ethyl-2-methyl-1H-indol-3-yl)acetic acid
Also Known As: (5-ETHYL-2-METHYL-1H-INDOL-3-YL)-ACETIC ACID, 2-(5-ethyl-2-methyl-1H-indol-3-yl)acetic Acid, (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid, 5-Ethyl-2-methyl-1H-indole-3-acetic Acid, BB 0248922
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.66582 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 540.1013 |
Chemical Identifiers
| CAS Number | 299166-69-1 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C |
Product Overview
(5-Ethyl-2-methyl-1H-indol-3-YL)-acetic acid (CAS 299166-69-1), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: 2-(5-ethyl-2-methyl-1H-indol-3-yl)acetic acid.
Chemical Property Profile of (5-Ethyl-2-methyl-1H-indol-3-YL)-acetic acid
Property Insights of (5-Ethyl-2-methyl-1H-indol-3-YL)-acetic acid
The XLogP value of 2.66582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Ethyl-2-methyl-1H-indol-3-YL)-acetic acid. With a topological polar surface area (TPSA) of 53.09 Ų, (5-Ethyl-2-methyl-1H-indol-3-YL)-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Ethyl-2-methyl-1H-indol-3-YL)-acetic acid has 2 hydrogen bond donor(s) and 1 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-Ethyl-2-methyl-1H-indol-3-YL)-acetic acid?
The CAS number of (5-Ethyl-2-methyl-1H-indol-3-YL)-acetic acid is 299166-69-1.
What is the molecular formula of (5-Ethyl-2-methyl-1H-indol-3-YL)-acetic acid?
The molecular formula of (5-Ethyl-2-methyl-1H-indol-3-YL)-acetic acid is C13H15NO2.
What is the molecular weight of (5-Ethyl-2-methyl-1H-indol-3-YL)-acetic acid?
The molecular weight of (5-Ethyl-2-methyl-1H-indol-3-YL)-acetic acid is 217.11 g/mol.
Where can I buy (5-Ethyl-2-methyl-1H-indol-3-YL)-acetic acid?
You can request a quote for (5-Ethyl-2-methyl-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-Ethyl-2-methyl-1H-indol-3-YL)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-Ethyl-2-methyl-1H-indol-3-YL)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.