ethyl 1,3-dimethyl-1H-indole-2-carboxylate
TL;DR: ethyl 1,3-dimethyl-1H-indole-2-carboxylate (CAS 61838-90-2) 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.
ethyl 1,3-dimethylindole-2-carboxylate
Also Known As: ethyl 1,3-dimethyl-1H-indole-2-carboxylate, Ethyl 1,3-dimethylindole-2-carboxylate, 1H-Indole-2-carboxylic acid, 1,3-dimethyl-, ethyl ester, 1,3-Dimethyl-1H-indole-2-carboxylic acid ethyl ester
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.66342 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 501.10132 |
Chemical Identifiers
| CAS Number | 61838-90-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2N1C)C |
Product Overview
ethyl 1,3-dimethyl-1H-indole-2-carboxylate (CAS 61838-90-2), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: ethyl 1,3-dimethylindole-2-carboxylate.
Chemical Property Profile of ethyl 1,3-dimethyl-1H-indole-2-carboxylate
Property Insights of ethyl 1,3-dimethyl-1H-indole-2-carboxylate
The XLogP value of 2.66342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1,3-dimethyl-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 31.23 Ų, ethyl 1,3-dimethyl-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1,3-dimethyl-1H-indole-2-carboxylate has 0 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 ethyl 1,3-dimethyl-1H-indole-2-carboxylate?
The CAS number of ethyl 1,3-dimethyl-1H-indole-2-carboxylate is 61838-90-2.
What is the molecular formula of ethyl 1,3-dimethyl-1H-indole-2-carboxylate?
The molecular formula of ethyl 1,3-dimethyl-1H-indole-2-carboxylate is C13H15NO2.
What is the molecular weight of ethyl 1,3-dimethyl-1H-indole-2-carboxylate?
The molecular weight of ethyl 1,3-dimethyl-1H-indole-2-carboxylate is 217.11 g/mol.
Where can I buy ethyl 1,3-dimethyl-1H-indole-2-carboxylate?
You can request a quote for ethyl 1,3-dimethyl-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 1,3-dimethyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1,3-dimethyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.