![2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile structure](/static/products/4112/41122-41-2.webp)
2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile
TL;DR: 2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile (CAS 41122-41-2) is a chemical compound with molecular formula C12H7N3O2 and molecular weight 225.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3-nitrophenyl)prop-2-enylidene]propanedinitrile
Also Known As: [3-(3-nitrophenyl)prop-2-en-1-ylidene]propanedinitrile|2-[3-(3-nitrophenyl)prop-2-enylidene]propanedinitrile|2-[(E)-3-(3-nitrophenyl)prop-2-enylidene]propanedinitrile
| Molecular Formula | C12H7N3O2 |
|---|---|
| Molecular Weight | 225.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.05383 |
| Heavy Atoms | 17 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 41122-41-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=CC=C(C#N)C#N |
| InChIKey | SUUDBEARADVQJK-UHFFFAOYSA-N |
Product Overview
2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile (CAS 41122-41-2), with molecular formula C12H7N3O2 and molecular weight 225.05 g/mol. IUPAC: 2-[3-(3-nitrophenyl)prop-2-enylidene]propanedinitrile.
Chemical Property Profile of 2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile
Property Insights of 2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile has 0 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 2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile?
The CAS number of 2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile is 41122-41-2.
What is the molecular formula of 2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile?
The molecular formula of 2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile is C12H7N3O2.
What is the molecular weight of 2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile?
The molecular weight of 2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile is 225.05 g/mol.
Where can I buy 2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile?
You can request a quote for 2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(3-Nitrophenyl)prop-2-enylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.