2,2-Diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile
TL;DR: 2,2-Diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile (CAS 478041-12-2) is a chemical compound with molecular formula C15H11N3O4 and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile
Also Known As: 2,2-diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile, 2,2-diacetyl-3-(4-nitrophenyl)-1,1-cyclopropanedicarbonitrile, 3R-0835
| Molecular Formula | C15H11N3O4 |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 1.88996 |
| Topological Polar Surface Area | 124.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.07495 |
| Heavy Atoms | 22 |
| Complexity | 739.4627 |
Chemical Identifiers
| CAS Number | 478041-12-2 |
|---|---|
| SMILES | CC(=O)C1(C(C1(C#N)C#N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C |
Product Overview
2,2-Diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile (CAS 478041-12-2), with molecular formula C15H11N3O4 and molecular weight 297.07 g/mol. IUPAC: 2,2-diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile.
Chemical Property Profile of 2,2-Diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile
Property Insights of 2,2-Diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile
The XLogP value of 1.88996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile. The TPSA of 124.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile. Following Lipinski's Rule of Five, 2,2-Diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile has 0 hydrogen bond donor(s) and 6 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 2,2-Diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile?
The CAS number of 2,2-Diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile is 478041-12-2.
What is the molecular formula of 2,2-Diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile?
The molecular formula of 2,2-Diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile is C15H11N3O4.
What is the molecular weight of 2,2-Diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile?
The molecular weight of 2,2-Diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile is 297.07 g/mol.
Where can I buy 2,2-Diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile?
You can request a quote for 2,2-Diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diacetyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.