1H-Pyrrole-3,4-dicarbonitrile
TL;DR: 1H-Pyrrole-3,4-dicarbonitrile (CAS 125666-25-3) is a chemical compound with molecular formula C6H3N3 and molecular weight 117.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-pyrrole-3,4-dicarbonitrile
Also Known As: 1H-Pyrrole-3,4-dicarbonitrile, 3,4-dicyanopyrrole, J2.659.967I, RefChem:240531
| Molecular Formula | C6H3N3 |
|---|---|
| Molecular Weight | 117.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 117.0327 |
| Heavy Atoms | 9 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 125666-25-3 |
|---|---|
| SMILES | C1=C(C(=CN1)C#N)C#N |
| InChIKey | CDMBNXFQNKVZEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrrole-3,4-dicarbonitrile (CAS 125666-25-3), with molecular formula C6H3N3 and molecular weight 117.03 g/mol. IUPAC: 1H-pyrrole-3,4-dicarbonitrile.
Chemical Property Profile of 1H-Pyrrole-3,4-dicarbonitrile
Property Insights of 1H-Pyrrole-3,4-dicarbonitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-3,4-dicarbonitrile. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-3,4-dicarbonitrile. Following Lipinski's Rule of Five, 1H-Pyrrole-3,4-dicarbonitrile has 1 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 1H-Pyrrole-3,4-dicarbonitrile?
The CAS number of 1H-Pyrrole-3,4-dicarbonitrile is 125666-25-3.
What is the molecular formula of 1H-Pyrrole-3,4-dicarbonitrile?
The molecular formula of 1H-Pyrrole-3,4-dicarbonitrile is C6H3N3.
What is the molecular weight of 1H-Pyrrole-3,4-dicarbonitrile?
The molecular weight of 1H-Pyrrole-3,4-dicarbonitrile is 117.03 g/mol.
Where can I buy 1H-Pyrrole-3,4-dicarbonitrile?
You can request a quote for 1H-Pyrrole-3,4-dicarbonitrile 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?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3,4-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.