Cinnamonitrile, p-nitro-
TL;DR: Cinnamonitrile, p-nitro- (CAS 27892-88-2) is a chemical compound with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-nitrophenyl)prop-2-enenitrile
Also Known As: 4-Nitrocinnamonitrile, p-Nitrocinnamonitrile, 4-NITRO-TRANS-CINNAMONITRILE, (2E)-3-(4-nitrophenyl)acrylonitrile, CINNAMONITRILE, p-NITRO-
| Molecular Formula | C9H6N2O2 |
|---|---|
| Molecular Weight | 174.04 g/mol |
| LogP | 2.13158 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.04292 |
| Heavy Atoms | 13 |
| Complexity | 373.59634 |
Chemical Identifiers
| CAS Number | 27892-88-2 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C#N)[N+](=O)[O-] |
Product Overview
Cinnamonitrile, p-nitro- (CAS 27892-88-2), with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol. IUPAC: (E)-3-(4-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of Cinnamonitrile, p-nitro-
Property Insights of Cinnamonitrile, p-nitro-
The XLogP value of 2.13158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinnamonitrile, p-nitro-. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Cinnamonitrile, p-nitro-. Following Lipinski's Rule of Five, Cinnamonitrile, p-nitro- 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 Cinnamonitrile, p-nitro-?
The CAS number of Cinnamonitrile, p-nitro- is 27892-88-2.
What is the molecular formula of Cinnamonitrile, p-nitro-?
The molecular formula of Cinnamonitrile, p-nitro- is C9H6N2O2.
What is the molecular weight of Cinnamonitrile, p-nitro-?
The molecular weight of Cinnamonitrile, p-nitro- is 174.04 g/mol.
Where can I buy Cinnamonitrile, p-nitro-?
You can request a quote for Cinnamonitrile, p-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnamonitrile, p-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Cinnamonitrile, p-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.