Ethyl 5-acetyl-1H-indole-2-carboxylate
TL;DR: Ethyl 5-acetyl-1H-indole-2-carboxylate (CAS 31380-56-0) 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.
ethyl 5-acetyl-1H-indole-2-carboxylate
Also Known As: Ethyl 5-acetyl-1H-indole-2-carboxylate, ethyl 5-acetylindole-2-carboxylate, VZMCGCQUHGLKMY-UHFFFAOYSA-, Ethyl5-acetyl-1H-indole-2-carboxylate, 1H-Indole-2-carboxylic acid, 5-acetyl-, ethyl ester
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.5472 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 583.3621 |
Chemical Identifiers
| CAS Number | 31380-56-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C(=O)C |
Product Overview
Ethyl 5-acetyl-1H-indole-2-carboxylate (CAS 31380-56-0), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: ethyl 5-acetyl-1H-indole-2-carboxylate.
Chemical Property Profile of Ethyl 5-acetyl-1H-indole-2-carboxylate
Property Insights of Ethyl 5-acetyl-1H-indole-2-carboxylate
The XLogP value of 2.5472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-acetyl-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 59.16 Ų, Ethyl 5-acetyl-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-acetyl-1H-indole-2-carboxylate has 1 hydrogen bond donor(s) and 3 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 Ethyl 5-acetyl-1H-indole-2-carboxylate?
The CAS number of Ethyl 5-acetyl-1H-indole-2-carboxylate is 31380-56-0.
What is the molecular formula of Ethyl 5-acetyl-1H-indole-2-carboxylate?
The molecular formula of Ethyl 5-acetyl-1H-indole-2-carboxylate is C13H13NO3.
What is the molecular weight of Ethyl 5-acetyl-1H-indole-2-carboxylate?
The molecular weight of Ethyl 5-acetyl-1H-indole-2-carboxylate is 231.09 g/mol.
Where can I buy Ethyl 5-acetyl-1H-indole-2-carboxylate?
You can request a quote for Ethyl 5-acetyl-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-acetyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-acetyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.