methyl 4-methoxy-1-methyl-1H-indole-2-carboxylate
TL;DR: methyl 4-methoxy-1-methyl-1H-indole-2-carboxylate (CAS 111258-25-4) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-methoxy-1-methylindole-2-carboxylate
Also Known As: methyl 4-methoxy-1-methyl-1H-indole-2-carboxylate, methyl 4-methoxy-1-methylindole-2-carboxylate, 4-methoxyindole-2-carboxylate, 8781AC, Methyl 4-methoxy-1-methyl-indole-2-carboxylate
Technical Specifications
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.08954 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 Da |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
| SMILES | CN1C2=C(C=C1C(=O)OC)C(=CC=C2)OC |
| InChIKey | JUWHKCSKYDXOCV-UHFFFAOYSA-N |
Chemical Property Profile of methyl 4-methoxy-1-methyl-1H-indole-2-carboxylate
Property Insights of methyl 4-methoxy-1-methyl-1H-indole-2-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-methoxy-1-methyl-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 40.5 Ų, methyl 4-methoxy-1-methyl-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-methoxy-1-methyl-1H-indole-2-carboxylate has 0 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 methyl 4-methoxy-1-methyl-1H-indole-2-carboxylate?
The CAS number of methyl 4-methoxy-1-methyl-1H-indole-2-carboxylate is 111258-25-4.
What is the molecular formula of methyl 4-methoxy-1-methyl-1H-indole-2-carboxylate?
The molecular formula of methyl 4-methoxy-1-methyl-1H-indole-2-carboxylate is C12H13NO3.
What is the molecular weight of methyl 4-methoxy-1-methyl-1H-indole-2-carboxylate?
The molecular weight of methyl 4-methoxy-1-methyl-1H-indole-2-carboxylate is 219.08954 g/mol.
Where can I buy methyl 4-methoxy-1-methyl-1H-indole-2-carboxylate?
You can request a quote for methyl 4-methoxy-1-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 4-methoxy-1-methyl-1H-indole-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 4-methoxy-1-methyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.