7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
TL;DR: 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile (CAS 77311-46-7) is a chemical compound with molecular formula C9H10N2O2 and molecular weight 178.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
Also Known As: 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile, 7A-hydroxy-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indole-3-carbonitrile
| Molecular Formula | C9H10N2O2 |
|---|---|
| Molecular Weight | 178.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.07423 |
| Heavy Atoms | 13 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 77311-46-7 |
|---|---|
| SMILES | C1CCC2(C(=C(C(=O)N2)C#N)C1)O |
| InChIKey | BRXPUVKBOVEUEM-UHFFFAOYSA-N |
Product Overview
7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile (CAS 77311-46-7), with molecular formula C9H10N2O2 and molecular weight 178.07 g/mol. IUPAC: 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile.
Chemical Property Profile of 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
Property Insights of 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
The XLogP value of -0.3 indicates that 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile. Following Lipinski's Rule of Five, 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile has 2 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 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
The CAS number of 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile is 77311-46-7.
What is the molecular formula of 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
The molecular formula of 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile is C9H10N2O2.
What is the molecular weight of 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
The molecular weight of 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile is 178.07 g/mol.
Where can I buy 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
You can request a quote for 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.