3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid
TL;DR: 3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid (CAS 54987-14-3) is a chemical compound with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-aminoethyl)-5-phenylmethoxy-1H-indole-2-carboxylic acid
Also Known As: 3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid, 3-(2-aminoethyl)-5-phenylmethoxy-1H-indole-2-carboxylic acid, 3-(2-aminoethyl)-5-benzyloxyindole-2-carboxylic acid, 3-(2-aminoethyl)-5-(phenylmethoxy)indole-2-carboxylic acid, 3-(2-aminoethyl)-5-benzyloxy-1H-indole-2-carboxylic acid
| Molecular Formula | C18H18N2O3 |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.13174 |
| Heavy Atoms | 23 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 54987-14-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3CCN)C(=O)O |
| InChIKey | FERYDSXBQXBEGS-UHFFFAOYSA-N |
Product Overview
3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid (CAS 54987-14-3), with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol. IUPAC: 3-(2-aminoethyl)-5-phenylmethoxy-1H-indole-2-carboxylic acid.
Chemical Property Profile of 3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid
Property Insights of 3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid has 3 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 3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid?
The CAS number of 3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid is 54987-14-3.
What is the molecular formula of 3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid?
The molecular formula of 3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid is C18H18N2O3.
What is the molecular weight of 3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid?
The molecular weight of 3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid is 310.13 g/mol.
Where can I buy 3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid?
You can request a quote for 3-(2-aminoethyl)-5-(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 3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.