对硝基肉桂腈
TL;DR: 对硝基肉桂腈 (CAS 29246-70-6) 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.
对硝基肉桂腈
3-(4-nitrophenyl)prop-2-enenitrile
Also Known As: p-Nitrocinnamonitrile, 4-Nitrocinnamonitrile, 4-nitro-cinnamonitrile, 3-(4-nitrophenyl)prop-2-enenitrile, 3-(4-nitrophenyl)-acrylonitrile
| Molecular Formula | C9H6N2O2 |
|---|---|
| Molecular Weight | 174.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.04292 |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 29246-70-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC#N)[N+](=O)[O-] |
| InChIKey | HLFGEWUHBJJYKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对硝基肉桂腈 (CAS 29246-70-6), with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol. IUPAC: 3-(4-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of 对硝基肉桂腈
Property Insights of 对硝基肉桂腈
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对硝基肉桂腈. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 对硝基肉桂腈. Following Lipinski's Rule of Five, 对硝基肉桂腈 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 对硝基肉桂腈?
The CAS number of 对硝基肉桂腈 is 29246-70-6.
What is the molecular formula of 对硝基肉桂腈?
The molecular formula of 对硝基肉桂腈 is C9H6N2O2.
What is the molecular weight of 对硝基肉桂腈?
The molecular weight of 对硝基肉桂腈 is 174.04 g/mol.
Where can I buy 对硝基肉桂腈?
You can request a quote for 对硝基肉桂腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对硝基肉桂腈?
Yes, KEHONG BIO provides custom synthesis services for 对硝基肉桂腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.