1H-Pyrrole-2,3,4,5-tetracarbonitrile
TL;DR: 1H-Pyrrole-2,3,4,5-tetracarbonitrile (CAS 5231-17-4) is a chemical compound with molecular formula C8HN5 and molecular weight 167.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-pyrrole-2,3,4,5-tetracarbonitrile
Also Known As: Tetracyanopyrrole, 1H-Pyrrole-2,3,4,5-tetracarbonitrile, Pyrrole-2,3,4,5-tetracarbonitrile
| Molecular Formula | C8HN5 |
|---|---|
| Molecular Weight | 167.02 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.0232 |
| Heavy Atoms | 13 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 5231-17-4 |
|---|---|
| SMILES | C(#N)C1=C(NC(=C1C#N)C#N)C#N |
| InChIKey | DIOVHILRQBNIJR-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-2,3,4,5-tetracarbonitrile (CAS 5231-17-4), with molecular formula C8HN5 and molecular weight 167.02 g/mol. IUPAC: 1H-pyrrole-2,3,4,5-tetracarbonitrile.
Chemical Property Profile of 1H-Pyrrole-2,3,4,5-tetracarbonitrile
Property Insights of 1H-Pyrrole-2,3,4,5-tetracarbonitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2,3,4,5-tetracarbonitrile. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-2,3,4,5-tetracarbonitrile. Following Lipinski's Rule of Five, 1H-Pyrrole-2,3,4,5-tetracarbonitrile 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-2,3,4,5-tetracarbonitrile?
The CAS number of 1H-Pyrrole-2,3,4,5-tetracarbonitrile is 5231-17-4.
What is the molecular formula of 1H-Pyrrole-2,3,4,5-tetracarbonitrile?
The molecular formula of 1H-Pyrrole-2,3,4,5-tetracarbonitrile is C8HN5.
What is the molecular weight of 1H-Pyrrole-2,3,4,5-tetracarbonitrile?
The molecular weight of 1H-Pyrrole-2,3,4,5-tetracarbonitrile is 167.02 g/mol.
Where can I buy 1H-Pyrrole-2,3,4,5-tetracarbonitrile?
You can request a quote for 1H-Pyrrole-2,3,4,5-tetracarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-2,3,4,5-tetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2,3,4,5-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.