Ethyl (1-methyl-1H-indol-3-yl)(oxo)acetate
TL;DR: Ethyl (1-methyl-1H-indol-3-yl)(oxo)acetate (CAS 25205-49-6) 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 2-(1-methylindol-3-yl)-2-oxoacetate
Also Known As: ethyl2- -2-oxo-acetate, ethyl 2-(1-methylindol-3-yl)-2-oxoacetate, Ethyl (1-methyl-1H-indol-3-yl)(oxo)acetate, ethyl N-methyl indole-3-glyoxylate, ethyl(1-methyl-1h-indol-3-yl)(oxo)acetate
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 25205-49-6 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CN(C2=CC=CC=C21)C |
| InChIKey | DFLGCVGOABTHCE-UHFFFAOYSA-N |
Product Overview
Ethyl (1-methyl-1H-indol-3-yl)(oxo)acetate (CAS 25205-49-6), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: ethyl 2-(1-methylindol-3-yl)-2-oxoacetate.
Chemical Property Profile of Ethyl (1-methyl-1H-indol-3-yl)(oxo)acetate
Property Insights of Ethyl (1-methyl-1H-indol-3-yl)(oxo)acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (1-methyl-1H-indol-3-yl)(oxo)acetate. With a topological polar surface area (TPSA) of 48.3 Ų, Ethyl (1-methyl-1H-indol-3-yl)(oxo)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (1-methyl-1H-indol-3-yl)(oxo)acetate has 0 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 (1-methyl-1H-indol-3-yl)(oxo)acetate?
The CAS number of Ethyl (1-methyl-1H-indol-3-yl)(oxo)acetate is 25205-49-6.
What is the molecular formula of Ethyl (1-methyl-1H-indol-3-yl)(oxo)acetate?
The molecular formula of Ethyl (1-methyl-1H-indol-3-yl)(oxo)acetate is C13H13NO3.
What is the molecular weight of Ethyl (1-methyl-1H-indol-3-yl)(oxo)acetate?
The molecular weight of Ethyl (1-methyl-1H-indol-3-yl)(oxo)acetate is 231.09 g/mol.
Where can I buy Ethyl (1-methyl-1H-indol-3-yl)(oxo)acetate?
You can request a quote for Ethyl (1-methyl-1H-indol-3-yl)(oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (1-methyl-1H-indol-3-yl)(oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (1-methyl-1H-indol-3-yl)(oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.