methyl 4-fluoro-1H-indole-2-carboxylate
TL;DR: methyl 4-fluoro-1H-indole-2-carboxylate (CAS 113162-36-0) is a chemical compound with molecular formula C10H8FNO2 and molecular weight 193.05391 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-fluoro-1H-indole-2-carboxylate
Also Known As: methyl 4-fluoro-1H-indole-2-carboxylate, 1H-Indole-2-carboxylic acid, 4-fluoro-, methyl ester, methyl-4-fluoroindole-carboxylate, 8999AC, methyl4-fluoro-1H-indole-2-carboxylate
Technical Specifications
| Molecular Formula | C10H8FNO2 |
| Molecular Weight | 193.05391 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.05391 Da |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
| SMILES | COC(=O)C1=CC2=C(N1)C=CC=C2F |
| InChIKey | JXXLBPLHQYAPLH-UHFFFAOYSA-N |
Chemical Property Profile of methyl 4-fluoro-1H-indole-2-carboxylate
Property Insights of methyl 4-fluoro-1H-indole-2-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-fluoro-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 42.1 Ų, methyl 4-fluoro-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-fluoro-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 methyl 4-fluoro-1H-indole-2-carboxylate?
The CAS number of methyl 4-fluoro-1H-indole-2-carboxylate is 113162-36-0.
What is the molecular formula of methyl 4-fluoro-1H-indole-2-carboxylate?
The molecular formula of methyl 4-fluoro-1H-indole-2-carboxylate is C10H8FNO2.
What is the molecular weight of methyl 4-fluoro-1H-indole-2-carboxylate?
The molecular weight of methyl 4-fluoro-1H-indole-2-carboxylate is 193.05391 g/mol.
Where can I buy methyl 4-fluoro-1H-indole-2-carboxylate?
You can request a quote for methyl 4-fluoro-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-fluoro-1H-indole-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 4-fluoro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.