1-acetyl-2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
TL;DR: 1-acetyl-2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile (CAS 52773-52-1) is a chemical compound with molecular formula C11H13N3O and molecular weight 203.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyl-2-amino-4,5,6,7-tetrahydroindole-3-carbonitrile
Also Known As: 1-acetyl-2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile, 1-acetyl-2-amino-4,5,6,7-tetrahydroindole-3-carbonitrile, 1H-Indole-3-carbonitrile, 1-acetyl-2-amino-4,5,6,7-tetrahydro-, AE-848/08360045, 1-acetyl-2-amino-3-cyano-4,5,6,7-tetrahydroindole
| Molecular Formula | C11H13N3O |
|---|---|
| Molecular Weight | 203.11 g/mol |
| LogP | 1.48088 |
| Topological Polar Surface Area | 71.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.10587 |
| Heavy Atoms | 15 |
| Complexity | 465.15808 |
Chemical Identifiers
| CAS Number | 52773-52-1 |
|---|---|
| SMILES | CC(=O)N1C2=C(CCCC2)C(=C1N)C#N |
Product Overview
1-acetyl-2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile (CAS 52773-52-1), with molecular formula C11H13N3O and molecular weight 203.11 g/mol. IUPAC: 1-acetyl-2-amino-4,5,6,7-tetrahydroindole-3-carbonitrile.
Chemical Property Profile of 1-acetyl-2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
Property Insights of 1-acetyl-2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
The XLogP value of 1.48088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-acetyl-2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile. The TPSA of 71.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-acetyl-2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile. Following Lipinski's Rule of Five, 1-acetyl-2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile has 1 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 1-acetyl-2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
The CAS number of 1-acetyl-2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile is 52773-52-1.
What is the molecular formula of 1-acetyl-2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
The molecular formula of 1-acetyl-2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile is C11H13N3O.
What is the molecular weight of 1-acetyl-2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
The molecular weight of 1-acetyl-2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile is 203.11 g/mol.
Where can I buy 1-acetyl-2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
You can request a quote for 1-acetyl-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 1-acetyl-2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-acetyl-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.