3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid
TL;DR: 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid (CAS 100394-23-8) is a chemical compound with molecular formula C13H13NO5 and molecular weight 263.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid
Also Known As: CBKinase1_005577, CBKinase1_017977, 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid, 1H-Indole-3-propanoic acid, 2-carboxy-5-methoxy-, BAS 07032643
Technical Specifications
| Molecular Formula | C13H13NO5 |
| Molecular Weight | 263.07938 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 99.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.07938 Da |
| Heavy Atoms | 19 |
| Complexity | 359.0 |
| SMILES | COC1=CC2=C(C=C1)NC(=C2CCC(=O)O)C(=O)O |
| InChIKey | GOWUBWYAUQFOOY-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid
Property Insights of 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid. The TPSA of 99.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid?
The CAS number of 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid is 100394-23-8.
What is the molecular formula of 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid?
The molecular formula of 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid is C13H13NO5.
What is the molecular weight of 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid?
The molecular weight of 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid is 263.07938 g/mol.
Where can I buy 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid?
You can request a quote for 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.