5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile
TL;DR: 5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile (CAS 88745-01-1) is a chemical compound with molecular formula C19H13N5 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1,2-diphenyl-2H-pyrrole-3,3,4-tricarbonitrile
Also Known As: NCI60_029240, 5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile, 5-amino-1,2-diphenyl-2H-pyrrole-3,3,4-tricarbonitrile, AH-232/01910023, 3H-Pyrrole-3,3,4-tricarbonitrile, 5-amino-1,2-dihydro-1,2-diphenyl-
| Molecular Formula | C19H13N5 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.1171 |
| Heavy Atoms | 24 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 88745-01-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(C(=C(N2C3=CC=CC=C3)N)C#N)(C#N)C#N |
| InChIKey | VPVNUZANVWHEPW-UHFFFAOYSA-N |
Product Overview
5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile (CAS 88745-01-1), with molecular formula C19H13N5 and molecular weight 311.12 g/mol. IUPAC: 5-amino-1,2-diphenyl-2H-pyrrole-3,3,4-tricarbonitrile.
Chemical Property Profile of 5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile
Property Insights of 5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile. Following Lipinski's Rule of Five, 5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile has 1 hydrogen bond donor(s) and 5 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 5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile?
The CAS number of 5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile is 88745-01-1.
What is the molecular formula of 5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile?
The molecular formula of 5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile is C19H13N5.
What is the molecular weight of 5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile?
The molecular weight of 5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile is 311.12 g/mol.
Where can I buy 5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile?
You can request a quote for 5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-1,2-diphenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.