6-(benzyloxy)-1H-indole-2-carboxylic acid
TL;DR: 6-(benzyloxy)-1H-indole-2-carboxylic acid (CAS 40047-22-1) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenylmethoxy-1H-indole-2-carboxylic acid
Also Known As: 6-(benzyloxy)-1H-indole-2-carboxylic acid, 6-Benzyloxy-1H-indole-2-carboxylic acid, 6-phenylmethoxy-1H-indole-2-carboxylic Acid, 6-Benzyloxy-indol-2-carbonsaeure, 2-carboxy-6-benzyloxy-1H-indole
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 3.4451 |
| Topological Polar Surface Area | 62.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 746.7628 |
Chemical Identifiers
| CAS Number | 40047-22-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=C(N3)C(=O)O |
Product Overview
6-(benzyloxy)-1H-indole-2-carboxylic acid (CAS 40047-22-1), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: 6-phenylmethoxy-1H-indole-2-carboxylic acid.
Chemical Property Profile of 6-(benzyloxy)-1H-indole-2-carboxylic acid
Property Insights of 6-(benzyloxy)-1H-indole-2-carboxylic acid
The XLogP value of 3.4451 indicates that 6-(benzyloxy)-1H-indole-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(benzyloxy)-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 6-(benzyloxy)-1H-indole-2-carboxylic acid has 2 hydrogen bond donor(s) and 2 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)-1H-indole-2-carboxylic acid?
The CAS number of 6-(benzyloxy)-1H-indole-2-carboxylic acid is 40047-22-1.
What is the molecular formula of 6-(benzyloxy)-1H-indole-2-carboxylic acid?
The molecular formula of 6-(benzyloxy)-1H-indole-2-carboxylic acid is C16H13NO3.
What is the molecular weight of 6-(benzyloxy)-1H-indole-2-carboxylic acid?
The molecular weight of 6-(benzyloxy)-1H-indole-2-carboxylic acid is 267.09 g/mol.
Where can I buy 6-(benzyloxy)-1H-indole-2-carboxylic acid?
You can request a quote for 6-(benzyloxy)-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)-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(benzyloxy)-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.