3-(4-Methylphenyl)-2-nitroprop-2-enenitrile
TL;DR: 3-(4-Methylphenyl)-2-nitroprop-2-enenitrile (CAS 57222-07-8) is a chemical compound with molecular formula C10H8N2O2 and molecular weight 188.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-2-nitroprop-2-enenitrile
Also Known As: 3-(4-methylphenyl)-2-nitroprop-2-enenitrile, (2E)-3-(4-methylphenyl)-2-nitroacrylonitrile, 3-(4-methylphenyl)-2-nitro-prop-2-enenitrile
| Molecular Formula | C10H8N2O2 |
|---|---|
| Molecular Weight | 188.06 g/mol |
| LogP | 2.1362 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.05858 |
| Heavy Atoms | 14 |
| Complexity | 412.7433 |
Chemical Identifiers
| CAS Number | 57222-07-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C=C(C#N)[N+](=O)[O-] |
Product Overview
3-(4-Methylphenyl)-2-nitroprop-2-enenitrile (CAS 57222-07-8), with molecular formula C10H8N2O2 and molecular weight 188.06 g/mol. IUPAC: 3-(4-methylphenyl)-2-nitroprop-2-enenitrile.
Chemical Property Profile of 3-(4-Methylphenyl)-2-nitroprop-2-enenitrile
Property Insights of 3-(4-Methylphenyl)-2-nitroprop-2-enenitrile
The XLogP value of 2.1362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methylphenyl)-2-nitroprop-2-enenitrile. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methylphenyl)-2-nitroprop-2-enenitrile. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)-2-nitroprop-2-enenitrile has 0 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 3-(4-Methylphenyl)-2-nitroprop-2-enenitrile?
The CAS number of 3-(4-Methylphenyl)-2-nitroprop-2-enenitrile is 57222-07-8.
What is the molecular formula of 3-(4-Methylphenyl)-2-nitroprop-2-enenitrile?
The molecular formula of 3-(4-Methylphenyl)-2-nitroprop-2-enenitrile is C10H8N2O2.
What is the molecular weight of 3-(4-Methylphenyl)-2-nitroprop-2-enenitrile?
The molecular weight of 3-(4-Methylphenyl)-2-nitroprop-2-enenitrile is 188.06 g/mol.
Where can I buy 3-(4-Methylphenyl)-2-nitroprop-2-enenitrile?
You can request a quote for 3-(4-Methylphenyl)-2-nitroprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylphenyl)-2-nitroprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylphenyl)-2-nitroprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.