1H-indole-6-carboxylate
TL;DR: 1H-indole-6-carboxylate (CAS 1670-82-2) is a chemical compound with molecular formula C9H6NO2- and molecular weight 160.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-indole-6-carboxylate
Also Known As: 1H-indole-6-carboxylate, Indole-6-carboxylic acid, 1H-Indole-6-carboxylic acidanion
| Molecular Formula | C9H6NO2- |
|---|---|
| Molecular Weight | 160.04 g/mol |
| LogP | 0.5314 |
| Topological Polar Surface Area | 55.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.03986 |
| Heavy Atoms | 12 |
| Complexity | 430.7761 |
Chemical Identifiers
| CAS Number | 1670-82-2 |
|---|---|
| SMILES | C1=CC(=CC2=C1C=CN2)C(=O)[O-] |
Product Overview
1H-indole-6-carboxylate (CAS 1670-82-2), with molecular formula C9H6NO2- and molecular weight 160.04 g/mol. IUPAC: 1H-indole-6-carboxylate.
Chemical Property Profile of 1H-indole-6-carboxylate
Property Insights of 1H-indole-6-carboxylate
The XLogP value of 0.5314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-indole-6-carboxylate. With a topological polar surface area (TPSA) of 55.92 Ų, 1H-indole-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-indole-6-carboxylate 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 1H-indole-6-carboxylate?
The CAS number of 1H-indole-6-carboxylate is 1670-82-2.
What is the molecular formula of 1H-indole-6-carboxylate?
The molecular formula of 1H-indole-6-carboxylate is C9H6NO2-.
What is the molecular weight of 1H-indole-6-carboxylate?
The molecular weight of 1H-indole-6-carboxylate is 160.04 g/mol.
Where can I buy 1H-indole-6-carboxylate?
You can request a quote for 1H-indole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-indole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1H-indole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.