ethyl 3,5-dimethyl-1H-indole-2-carboxylate
TL;DR: ethyl 3,5-dimethyl-1H-indole-2-carboxylate (CAS 16423-76-0) 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 3,5-dimethyl-1H-indole-2-carboxylate
Also Known As: ethyl 3,5-dimethyl-1H-indole-2-carboxylate, 1H-Indole-2-carboxylic acid, 3,5-dimethyl-, ethyl ester, Ethyl 3,5-dimethyl-2-indolecarboxylate, ethyl3,5-dimethyl-1H-indole-2-carboxylate, J1.357.132E
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.96144 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 540.1013 |
Chemical Identifiers
| CAS Number | 16423-76-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C)C |
Product Overview
ethyl 3,5-dimethyl-1H-indole-2-carboxylate (CAS 16423-76-0), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: ethyl 3,5-dimethyl-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3,5-dimethyl-1H-indole-2-carboxylate
Property Insights of ethyl 3,5-dimethyl-1H-indole-2-carboxylate
The XLogP value of 2.96144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3,5-dimethyl-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 42.09 Ų, ethyl 3,5-dimethyl-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3,5-dimethyl-1H-indole-2-carboxylate 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 ethyl 3,5-dimethyl-1H-indole-2-carboxylate?
The CAS number of ethyl 3,5-dimethyl-1H-indole-2-carboxylate is 16423-76-0.
What is the molecular formula of ethyl 3,5-dimethyl-1H-indole-2-carboxylate?
The molecular formula of ethyl 3,5-dimethyl-1H-indole-2-carboxylate is C13H15NO2.
What is the molecular weight of ethyl 3,5-dimethyl-1H-indole-2-carboxylate?
The molecular weight of ethyl 3,5-dimethyl-1H-indole-2-carboxylate is 217.11 g/mol.
Where can I buy ethyl 3,5-dimethyl-1H-indole-2-carboxylate?
You can request a quote for ethyl 3,5-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 3,5-dimethyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,5-dimethyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.