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 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C13H13NO5 |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 1.8919 |
| Topological Polar Surface Area | 99.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.07938 |
| Heavy Atoms | 19 |
| Complexity | 643.7662 |
Chemical Identifiers
| CAS Number | 100394-23-8 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC(=C2CCC(=O)O)C(=O)O |
Product Overview
3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid (CAS 100394-23-8), with molecular formula C13H13NO5 and molecular weight 263.08 g/mol. IUPAC: 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid.
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 1.8919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid. The TPSA of 99.62 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 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
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 263.08 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO 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.