5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile
TL;DR: 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile (CAS 329928-27-0) is a chemical compound with molecular formula C20H14N6O3 and molecular weight 386.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile
Also Known As: NCI60_029243, 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile, 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile, 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-pyrrole-3,3,4(2H)-tricarbonitrile, 1H-Pyrrole-3,4-tricarbonitrile, 5-amino-2,3-dihydro- 1-(4-methoxyphenyl)-2-(3-nitrophenyl)-
| Molecular Formula | C20H14N6O3 |
|---|---|
| Molecular Weight | 386.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.11273 |
| Heavy Atoms | 29 |
| Complexity | 826.0 |
Chemical Identifiers
| CAS Number | 329928-27-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | RFHSTAWCVDYMAA-UHFFFAOYSA-N |
Product Overview
5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile (CAS 329928-27-0), with molecular formula C20H14N6O3 and molecular weight 386.11 g/mol. IUPAC: 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile.
Chemical Property Profile of 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile
Property Insights of 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile. The TPSA of 156.0 Ų indicates high polarity, suggesting 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile has 1 hydrogen bond donor(s) and 8 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-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile?
The CAS number of 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile is 329928-27-0.
What is the molecular formula of 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile?
The molecular formula of 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile is C20H14N6O3.
What is the molecular weight of 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile?
The molecular weight of 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile is 386.11 g/mol.
Where can I buy 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile?
You can request a quote for 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-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-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.