1H-indole-3-carboxylic acid ethyl ester
TL;DR: 1H-indole-3-carboxylic acid ethyl ester (CAS 134826-49-6) is a chemical compound with molecular formula C25H21N3O4 and molecular weight 427.1532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-[(3-cyano-2-pyridinyl)oxy]-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate
Also Known As: 1H-indole-3-carboxylic acid ethyl ester, AH-262/08421054, ethyl 5-(3-cyanopyridin-2-yl)oxy-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate, 5-(3-Cyano-pyridin-2-yloxy)-1-(4-methoxy-phenyl)-2-methyl-, 5-(3-Cyano-pyridin-2-yloxy)-1-(4-methoxy-phenyl)-2-methyl-1H-indole-3-carboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C25H21N3O4 |
| Molecular Weight | 427.1532 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 86.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.1532 Da |
| Heavy Atoms | 32 |
| Complexity | 686.0 |
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC3=C(C=CC=N3)C#N)C4=CC=C(C=C4)OC)C |
| InChIKey | NOUMSOVEYWUNPF-UHFFFAOYSA-N |
Chemical Property Profile of 1H-indole-3-carboxylic acid ethyl ester
Property Insights of 1H-indole-3-carboxylic acid ethyl ester
The XLogP value of 4.8 indicates that 1H-indole-3-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-indole-3-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 1H-indole-3-carboxylic acid ethyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-indole-3-carboxylic acid ethyl ester?
The CAS number of 1H-indole-3-carboxylic acid ethyl ester is 134826-49-6.
What is the molecular formula of 1H-indole-3-carboxylic acid ethyl ester?
The molecular formula of 1H-indole-3-carboxylic acid ethyl ester is C25H21N3O4.
What is the molecular weight of 1H-indole-3-carboxylic acid ethyl ester?
The molecular weight of 1H-indole-3-carboxylic acid ethyl ester is 427.1532 g/mol.
Where can I buy 1H-indole-3-carboxylic acid ethyl ester?
You can request a quote for 1H-indole-3-carboxylic acid ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-indole-3-carboxylic acid ethyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-indole-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.