Methyl 3-methyl-1H-indole-2-carboxylate
TL;DR: Methyl 3-methyl-1H-indole-2-carboxylate (CAS 104711-29-7) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-methyl-1H-indole-2-carboxylate
Also Known As: Methyl 3-methyl-1H-indole-2-carboxylate, 2-methoxycarbonyl-3-methylindole, Methyl3-methyl-1H-indole-2-carboxylate, 3-Methyl-1H-indole-2-carboxylic acid methyl ester, J2.988.758F
Technical Specifications
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.07898 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.07898 Da |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
| SMILES | CC1=C(NC2=CC=CC=C12)C(=O)OC |
| InChIKey | QCVZPYVEGDEHAI-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-methyl-1H-indole-2-carboxylate
Property Insights of Methyl 3-methyl-1H-indole-2-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methyl-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 42.1 Ų, Methyl 3-methyl-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methyl-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
What is the CAS number of Methyl 3-methyl-1H-indole-2-carboxylate?
The CAS number of Methyl 3-methyl-1H-indole-2-carboxylate is 104711-29-7.
What is the molecular formula of Methyl 3-methyl-1H-indole-2-carboxylate?
The molecular formula of Methyl 3-methyl-1H-indole-2-carboxylate is C11H11NO2.
What is the molecular weight of Methyl 3-methyl-1H-indole-2-carboxylate?
The molecular weight of Methyl 3-methyl-1H-indole-2-carboxylate is 189.07898 g/mol.
Where can I buy Methyl 3-methyl-1H-indole-2-carboxylate?
You can request a quote for Methyl 3-methyl-1H-indole-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-methyl-1H-indole-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-methyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.