4-Benzyloxy-1-methyl-1H-indole-2-carboxylic acid
TL;DR: 4-Benzyloxy-1-methyl-1H-indole-2-carboxylic acid (CAS 336783-86-9) is a chemical compound with molecular formula C17H15NO3 and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-phenylmethoxyindole-2-carboxylic acid
Also Known As: 1-methyl-4-phenylmethoxyindole-2-carboxylic acid, 1-methyl-4-phenylmethoxy-indole-2-carboxylic Acid, 4-BENZYLOXY-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID, 4-(BENZYLOXY)-1-METHYLINDOLE-2-CARBOXYLIC ACID
| Molecular Formula | C17H15NO3 |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 3.4555 |
| Topological Polar Surface Area | 51.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.1052 |
| Heavy Atoms | 21 |
| Complexity | 790.40533 |
Chemical Identifiers
| CAS Number | 336783-86-9 |
|---|---|
| SMILES | CN1C2=C(C=C1C(=O)O)C(=CC=C2)OCC3=CC=CC=C3 |
Product Overview
4-Benzyloxy-1-methyl-1H-indole-2-carboxylic acid (CAS 336783-86-9), with molecular formula C17H15NO3 and molecular weight 281.11 g/mol. IUPAC: 1-methyl-4-phenylmethoxyindole-2-carboxylic acid.
Chemical Property Profile of 4-Benzyloxy-1-methyl-1H-indole-2-carboxylic acid
Property Insights of 4-Benzyloxy-1-methyl-1H-indole-2-carboxylic acid
The XLogP value of 3.4555 indicates that 4-Benzyloxy-1-methyl-1H-indole-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.46 Ų, 4-Benzyloxy-1-methyl-1H-indole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyloxy-1-methyl-1H-indole-2-carboxylic acid 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
Frequently Asked Questions
What is the CAS number of 4-Benzyloxy-1-methyl-1H-indole-2-carboxylic acid?
The CAS number of 4-Benzyloxy-1-methyl-1H-indole-2-carboxylic acid is 336783-86-9.
What is the molecular formula of 4-Benzyloxy-1-methyl-1H-indole-2-carboxylic acid?
The molecular formula of 4-Benzyloxy-1-methyl-1H-indole-2-carboxylic acid is C17H15NO3.
What is the molecular weight of 4-Benzyloxy-1-methyl-1H-indole-2-carboxylic acid?
The molecular weight of 4-Benzyloxy-1-methyl-1H-indole-2-carboxylic acid is 281.11 g/mol.
Where can I buy 4-Benzyloxy-1-methyl-1H-indole-2-carboxylic acid?
You can request a quote for 4-Benzyloxy-1-methyl-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 4-Benzyloxy-1-methyl-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyloxy-1-methyl-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.