1-Acetyl-4-amino-2,5-dihydro-1H-pyrrole-3-carbonitrile
TL;DR: 1-Acetyl-4-amino-2,5-dihydro-1H-pyrrole-3-carbonitrile (CAS 21309-93-3) is a chemical compound with molecular formula C7H9N3O and molecular weight 151.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyl-4-amino-2,5-dihydropyrrole-3-carbonitrile
Also Known As: 1-Acetyl-4-amino-2,5-dihydro-1H-pyrrole-3-carbonitrile, 1-Acetyl-3-amino-4-cyano-3-pyrroline, PYR018, 1-acetyl-4-amino-2,5-dihydropyrrole-3-carbonitrile, 1H-Pyrrole-3-carbonitrile,1-acetyl-4-amino-2,5-dihydro-
| Molecular Formula | C7H9N3O |
|---|---|
| Molecular Weight | 151.07 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.07455 |
| Heavy Atoms | 11 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 21309-93-3 |
|---|---|
| SMILES | CC(=O)N1CC(=C(C1)N)C#N |
| InChIKey | FDUGIQHADKXDKM-UHFFFAOYSA-N |
Product Overview
1-Acetyl-4-amino-2,5-dihydro-1H-pyrrole-3-carbonitrile (CAS 21309-93-3), with molecular formula C7H9N3O and molecular weight 151.07 g/mol. IUPAC: 1-acetyl-4-amino-2,5-dihydropyrrole-3-carbonitrile.
Chemical Property Profile of 1-Acetyl-4-amino-2,5-dihydro-1H-pyrrole-3-carbonitrile
Property Insights of 1-Acetyl-4-amino-2,5-dihydro-1H-pyrrole-3-carbonitrile
The XLogP value of -1.0 indicates that 1-Acetyl-4-amino-2,5-dihydro-1H-pyrrole-3-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-4-amino-2,5-dihydro-1H-pyrrole-3-carbonitrile. Following Lipinski's Rule of Five, 1-Acetyl-4-amino-2,5-dihydro-1H-pyrrole-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-4-amino-2,5-dihydro-1H-pyrrole-3-carbonitrile?
The CAS number of 1-Acetyl-4-amino-2,5-dihydro-1H-pyrrole-3-carbonitrile is 21309-93-3.
What is the molecular formula of 1-Acetyl-4-amino-2,5-dihydro-1H-pyrrole-3-carbonitrile?
The molecular formula of 1-Acetyl-4-amino-2,5-dihydro-1H-pyrrole-3-carbonitrile is C7H9N3O.
What is the molecular weight of 1-Acetyl-4-amino-2,5-dihydro-1H-pyrrole-3-carbonitrile?
The molecular weight of 1-Acetyl-4-amino-2,5-dihydro-1H-pyrrole-3-carbonitrile is 151.07 g/mol.
Where can I buy 1-Acetyl-4-amino-2,5-dihydro-1H-pyrrole-3-carbonitrile?
You can request a quote for 1-Acetyl-4-amino-2,5-dihydro-1H-pyrrole-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-4-amino-2,5-dihydro-1H-pyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-4-amino-2,5-dihydro-1H-pyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.