2-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carbonitrile
TL;DR: 2-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carbonitrile (CAS 138313-80-1) is a chemical compound with molecular formula C11H9N3O and molecular weight 199.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-oxo-1-phenyl-3H-pyrrole-4-carbonitrile
Also Known As: 2-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carbonitrile, 5-amino-2-oxo-1-phenyl-3H-pyrrole-4-carbonitrile, 1H-Pyrrole-3-carbonitrile, 2-amino-4,5-dihydro-5-oxo-1-phenyl-, J1.589.943C, 1-Phenyl-2-amino-5-oxo-2-pyrroline-3-carbonitrile
| Molecular Formula | C11H9N3O |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 1.11718 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.07455 |
| Heavy Atoms | 15 |
| Complexity | 470.35645 |
Chemical Identifiers
| CAS Number | 138313-80-1 |
|---|---|
| SMILES | C1C(=C(N(C1=O)C2=CC=CC=C2)N)C#N |
Product Overview
2-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carbonitrile (CAS 138313-80-1), with molecular formula C11H9N3O and molecular weight 199.07 g/mol. IUPAC: 5-amino-2-oxo-1-phenyl-3H-pyrrole-4-carbonitrile.
Chemical Property Profile of 2-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carbonitrile
Property Insights of 2-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carbonitrile
The XLogP value of 1.11718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carbonitrile. The TPSA of 70.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-5-oxo-1-phenyl-4,5-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 2-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carbonitrile?
The CAS number of 2-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carbonitrile is 138313-80-1.
What is the molecular formula of 2-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carbonitrile?
The molecular formula of 2-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carbonitrile is C11H9N3O.
What is the molecular weight of 2-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carbonitrile?
The molecular weight of 2-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carbonitrile is 199.07 g/mol.
Where can I buy 2-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carbonitrile?
You can request a quote for 2-Amino-5-oxo-1-phenyl-4,5-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 2-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.