Ethyl 3-formyl-6-methyl-1H-indole-2-carboxylate
TL;DR: Ethyl 3-formyl-6-methyl-1H-indole-2-carboxylate (CAS 137076-25-6) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-formyl-6-methyl-1H-indole-2-carboxylate
Also Known As: Ethyl 3-formyl-6-methyl-1H-indole-2-carboxylate, 1h-indole-2-carboxylic acid,3-formyl-6-methyl-,ethyl ester, BB 0249894, 1H-INDOLE-2-CARBOXYLIC ACID,3-FORMYL-6-METHYL-,ETH, 3-Formyl-6-methyl-1H-indole-2-carboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.08954 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.08954 Da |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)C)C=O |
| InChIKey | JCNMIOFOJFTRNE-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-formyl-6-methyl-1H-indole-2-carboxylate
Property Insights of Ethyl 3-formyl-6-methyl-1H-indole-2-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-formyl-6-methyl-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 59.2 Ų, Ethyl 3-formyl-6-methyl-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-formyl-6-methyl-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
What is the CAS number of Ethyl 3-formyl-6-methyl-1H-indole-2-carboxylate?
The CAS number of Ethyl 3-formyl-6-methyl-1H-indole-2-carboxylate is 137076-25-6.
What is the molecular formula of Ethyl 3-formyl-6-methyl-1H-indole-2-carboxylate?
The molecular formula of Ethyl 3-formyl-6-methyl-1H-indole-2-carboxylate is C13H13NO3.
What is the molecular weight of Ethyl 3-formyl-6-methyl-1H-indole-2-carboxylate?
The molecular weight of Ethyl 3-formyl-6-methyl-1H-indole-2-carboxylate is 231.08954 g/mol.
Where can I buy Ethyl 3-formyl-6-methyl-1H-indole-2-carboxylate?
You can request a quote for Ethyl 3-formyl-6-methyl-1H-indole-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-formyl-6-methyl-1H-indole-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-formyl-6-methyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.