1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo-
TL;DR: 1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo- (CAS 1974-53-4) is a chemical compound with molecular formula C6HN3O2 and molecular weight 147.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dioxopyrrole-3,4-dicarbonitrile
Also Known As: 2,5-dioxopyrrole-3,4-dicarbonitrile, 1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo-, 2,5-Dioxo-2,5-dihydro-1H-pyrrole-3,4-dicarbonitrile, 2,5-Dioxo-2,5-dihydro-1H-pyrrole-3,4-dicarbonitrile #, RefChem:240532
| Molecular Formula | C6HN3O2 |
|---|---|
| Molecular Weight | 147.01 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.00688 |
| Heavy Atoms | 11 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 1974-53-4 |
|---|---|
| SMILES | C(#N)C1=C(C(=O)NC1=O)C#N |
| InChIKey | NWYGDAXTWDWSPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo- (CAS 1974-53-4), with molecular formula C6HN3O2 and molecular weight 147.01 g/mol. IUPAC: 2,5-dioxopyrrole-3,4-dicarbonitrile.
Chemical Property Profile of 1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo-
Property Insights of 1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo-
The XLogP value of -0.8 indicates that 1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo-. Following Lipinski's Rule of Five, 1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo- has 1 hydrogen bond donor(s) and 4 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 1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo-?
The CAS number of 1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo- is 1974-53-4.
What is the molecular formula of 1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo-?
The molecular formula of 1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo- is C6HN3O2.
What is the molecular weight of 1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo-?
The molecular weight of 1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo- is 147.01 g/mol.
Where can I buy 1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo-?
You can request a quote for 1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.