5-Amino-1H-indole-3-carboxylic acid
TL;DR: 5-Amino-1H-indole-3-carboxylic acid (CAS 87839-87-0) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1H-indole-3-carboxylic acid
Also Known As: 5-Amino-1H-indole-3-carboxylic acid, 5-Aminoindole-3-carboxylic acid, 5-Amino-3-indolecarboxylic acid, 1H-Indole-3-carboxylic acid, 5-amino-, 1H-Indole-3-carboxylicacid, 5-amino-
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 79.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 87839-87-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1N)C(=CN2)C(=O)O |
| InChIKey | HKOLMJPBDIBCRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Amino-1H-indole-3-carboxylic acid (CAS 87839-87-0), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: 5-amino-1H-indole-3-carboxylic acid.
Chemical Property Profile of 5-Amino-1H-indole-3-carboxylic acid
Property Insights of 5-Amino-1H-indole-3-carboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-1H-indole-3-carboxylic acid. The TPSA of 79.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-1H-indole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-Amino-1H-indole-3-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 5-Amino-1H-indole-3-carboxylic acid?
The CAS number of 5-Amino-1H-indole-3-carboxylic acid is 87839-87-0.
What is the molecular formula of 5-Amino-1H-indole-3-carboxylic acid?
The molecular formula of 5-Amino-1H-indole-3-carboxylic acid is C9H8N2O2.
What is the molecular weight of 5-Amino-1H-indole-3-carboxylic acid?
The molecular weight of 5-Amino-1H-indole-3-carboxylic acid is 176.06 g/mol.
Where can I buy 5-Amino-1H-indole-3-carboxylic acid?
You can request a quote for 5-Amino-1H-indole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-1H-indole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-1H-indole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.