2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile
TL;DR: 2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile (CAS 78563-59-4) is a chemical compound with molecular formula C18H12N4 and molecular weight 284.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1,5-diphenylpyrrole-3,4-dicarbonitrile
Also Known As: 2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile, 2-amino-1,5-diphenylpyrrole-3,4-dicarbonitrile, NCI60_029252, 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1,5-diphenyl-, 2-amino-1,5-diphenyl-pyrrole-3,4-dicarbonitrile
| Molecular Formula | C18H12N4 |
|---|---|
| Molecular Weight | 284.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.1062 |
| Heavy Atoms | 22 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 78563-59-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=C(N2C3=CC=CC=C3)N)C#N)C#N |
| InChIKey | XQCNSHRRDWZUFO-UHFFFAOYSA-N |
Product Overview
2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile (CAS 78563-59-4), with molecular formula C18H12N4 and molecular weight 284.11 g/mol. IUPAC: 2-amino-1,5-diphenylpyrrole-3,4-dicarbonitrile.
Chemical Property Profile of 2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile
Property Insights of 2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile
The XLogP value of 3.6 indicates that 2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile. Following Lipinski's Rule of Five, 2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile 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-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile?
The CAS number of 2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile is 78563-59-4.
What is the molecular formula of 2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile?
The molecular formula of 2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile is C18H12N4.
What is the molecular weight of 2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile?
The molecular weight of 2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile is 284.11 g/mol.
Where can I buy 2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile?
You can request a quote for 2-Amino-1,5-diphenyl-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 2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.