alpha-Ethyl-3-formyl-1H-indole-1-acetic acid
TL;DR: alpha-Ethyl-3-formyl-1H-indole-1-acetic acid (CAS 869947-42-2) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-formylindol-1-yl)butanoic acid
Also Known As: 2-(3-formyl-1H-indol-1-yl)butanoic acid, 2-(3-formylindol-1-yl)butanoic Acid, 2-(3-Formyl-1-indolyl)butanoic Acid, CHEMBRDG-BB7993705, CHEMBRDG-BB 7993705
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.4895 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 571.0483 |
Chemical Identifiers
| CAS Number | 869947-42-2 |
|---|---|
| SMILES | CCC(C(=O)O)N1C=C(C2=CC=CC=C21)C=O |
Product Overview
alpha-Ethyl-3-formyl-1H-indole-1-acetic acid (CAS 869947-42-2), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 2-(3-formylindol-1-yl)butanoic acid.
Chemical Property Profile of alpha-Ethyl-3-formyl-1H-indole-1-acetic acid
Property Insights of alpha-Ethyl-3-formyl-1H-indole-1-acetic acid
The XLogP value of 2.4895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Ethyl-3-formyl-1H-indole-1-acetic acid. With a topological polar surface area (TPSA) of 59.3 Ų, alpha-Ethyl-3-formyl-1H-indole-1-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Ethyl-3-formyl-1H-indole-1-acetic acid has 1 hydrogen bond donor(s) and 2 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 alpha-Ethyl-3-formyl-1H-indole-1-acetic acid?
The CAS number of alpha-Ethyl-3-formyl-1H-indole-1-acetic acid is 869947-42-2.
What is the molecular formula of alpha-Ethyl-3-formyl-1H-indole-1-acetic acid?
The molecular formula of alpha-Ethyl-3-formyl-1H-indole-1-acetic acid is C13H13NO3.
What is the molecular weight of alpha-Ethyl-3-formyl-1H-indole-1-acetic acid?
The molecular weight of alpha-Ethyl-3-formyl-1H-indole-1-acetic acid is 231.09 g/mol.
Where can I buy alpha-Ethyl-3-formyl-1H-indole-1-acetic acid?
You can request a quote for alpha-Ethyl-3-formyl-1H-indole-1-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Ethyl-3-formyl-1H-indole-1-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-Ethyl-3-formyl-1H-indole-1-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.