6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid
TL;DR: 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid (CAS 2495-92-3) is a chemical compound with molecular formula C17H15NO4 and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-6-phenylmethoxy-1H-indole-2-carboxylic acid
Also Known As: Crotonicanhydride, 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid, 6-Benzyloxy-5-methoxyindole-2-carboxylic acid, 6-Benzyloxy-5-methoxy-2-carboxyindole, 6-Benzyloxy-5-methoxy-1H-indole-2-carboxylic acid
| Molecular Formula | C17H15NO4 |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.1001 |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 2495-92-3 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=C(N2)C(=O)O)OCC3=CC=CC=C3 |
| InChIKey | JMOOGCFXFNKYCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid (CAS 2495-92-3), with molecular formula C17H15NO4 and molecular weight 297.10 g/mol. IUPAC: 5-methoxy-6-phenylmethoxy-1H-indole-2-carboxylic acid.
Chemical Property Profile of 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid
Property Insights of 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid
The XLogP value of 3.3 indicates that 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid has 2 hydrogen bond donor(s) and 4 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 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid?
The CAS number of 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid is 2495-92-3.
What is the molecular formula of 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid?
The molecular formula of 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid is C17H15NO4.
What is the molecular weight of 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid?
The molecular weight of 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid is 297.10 g/mol.
Where can I buy 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid?
You can request a quote for 6-(Benzyloxy)-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 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.