2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
TL;DR: 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile (CAS 52773-53-2) is a chemical compound with molecular formula C9H11N3 and molecular weight 161.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
Also Known As: 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile, 2-amino-3-cyano-4,5,6,7-tetrahydroindole, 1H-Imidazo[4,5-d]-1,2,3-triazine,4-chloro, 2-amino-4,5,6,7-tetrahydroindole-3-carbonitrile, 1H-Indole-3-carbonitrile, 2-amino-4,5,6,7-tetrahydro-
| Molecular Formula | C9H11N3 |
|---|---|
| Molecular Weight | 161.10 g/mol |
| LogP | 1.34738 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.09529 |
| Heavy Atoms | 12 |
| Complexity | 343.391 |
Chemical Identifiers
| CAS Number | 52773-53-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N2)N)C#N |
Product Overview
2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile (CAS 52773-53-2), with molecular formula C9H11N3 and molecular weight 161.10 g/mol. IUPAC: 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile.
Chemical Property Profile of 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
Property Insights of 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
The XLogP value of 1.34738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile has 2 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 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
The CAS number of 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile is 52773-53-2.
What is the molecular formula of 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
The molecular formula of 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile is C9H11N3.
What is the molecular weight of 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
The molecular weight of 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile is 161.10 g/mol.
Where can I buy 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
You can request a quote for 2-amino-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 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.