methyl 2-(1H-indol-2-yl)propanoate
TL;DR: methyl 2-(1H-indol-2-yl)propanoate (CAS 120610-16-4) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(1H-indol-2-yl)propanoate
Also Known As: methyl 2-(2-indolyl)propionate, methyl 2-(1H-indol-2-yl)propanoate, 1H-Indole-2-acetic acid, .alpha.-methyl-, methyl ester
Technical Specifications
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.09464 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.09464 Da |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
| SMILES | CC(C1=CC2=CC=CC=C2N1)C(=O)OC |
| InChIKey | GAMURTSIMKWGEJ-UHFFFAOYSA-N |
Chemical Property Profile of methyl 2-(1H-indol-2-yl)propanoate
Property Insights of methyl 2-(1H-indol-2-yl)propanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(1H-indol-2-yl)propanoate. With a topological polar surface area (TPSA) of 42.1 Ų, methyl 2-(1H-indol-2-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(1H-indol-2-yl)propanoate 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 2-(1H-indol-2-yl)propanoate?
The CAS number of methyl 2-(1H-indol-2-yl)propanoate is 120610-16-4.
What is the molecular formula of methyl 2-(1H-indol-2-yl)propanoate?
The molecular formula of methyl 2-(1H-indol-2-yl)propanoate is C12H13NO2.
What is the molecular weight of methyl 2-(1H-indol-2-yl)propanoate?
The molecular weight of methyl 2-(1H-indol-2-yl)propanoate is 203.09464 g/mol.
Where can I buy methyl 2-(1H-indol-2-yl)propanoate?
You can request a quote for methyl 2-(1H-indol-2-yl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 2-(1H-indol-2-yl)propanoate?
Yes, CoreyChem provides custom synthesis services for methyl 2-(1H-indol-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.