3-(4-硝基苯基)-1,3,5-戊三甲腈
TL;DR: 3-(4-硝基苯基)-1,3,5-戊三甲腈 (CAS 42307-77-7) is a chemical compound with molecular formula C14H12N4O2 and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-硝基苯基)-1,3,5-戊三甲腈
3-(4-nitrophenyl)pentane-1,3,5-tricarbonitrile
Also Known As: 3-(4-nitrophenyl)pentane-1,3,5-tricarbonitrile, 1,3,5-Pentanetricarbonitrile, 3-(p-nitrophenyl)-, 3-(p-Nitrophenyl)-1,3,5-pentanetricarbonitrile, 1,3,5-Pentanetricarbonitrile, 3-(4-nitrophenyl)-, 3-09-00-04813 (Beilstein Handbook Reference)
| Molecular Formula | C14H12N4O2 |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.09604 |
| Heavy Atoms | 20 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 42307-77-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CCC#N)(CCC#N)C#N)[N+](=O)[O-] |
| InChIKey | KNAXGTWWNINUMR-UHFFFAOYSA-N |
Product Overview
3-(4-硝基苯基)-1,3,5-戊三甲腈 (CAS 42307-77-7), with molecular formula C14H12N4O2 and molecular weight 268.10 g/mol. IUPAC: 3-(4-nitrophenyl)pentane-1,3,5-tricarbonitrile.
Chemical Property Profile of 3-(4-硝基苯基)-1,3,5-戊三甲腈
Property Insights of 3-(4-硝基苯基)-1,3,5-戊三甲腈
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-硝基苯基)-1,3,5-戊三甲腈. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-硝基苯基)-1,3,5-戊三甲腈. Following Lipinski's Rule of Five, 3-(对硝基苯基)-1,3,5-戊三甲腈 has 0 hydrogen bond donor(s) and 5 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-(对硝基苯基)-1,3,5-戊三甲腈?
The CAS number of 3-(对硝基苯基)-1,3,5-戊三甲腈 is 42307-77-7.
What is the molecular formula of 3-(对硝基苯基)-1,3,5-戊三甲腈?
The molecular formula of 3-(对硝基苯基)-1,3,5-戊三甲腈 is C14H12N4O2.
What is the molecular weight of 3-(对硝基苯基)-1,3,5-戊三甲腈?
The molecular weight of 3-(对硝基苯基)-1,3,5-戊三甲腈 is 268.10 g/mol.
Where can I buy 3-(对硝基苯基)-1,3,5-戊三甲腈?
You can request a quote for 3-(对硝基苯基)-1,3,5-戊三甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(对硝基苯基)-1,3,5-戊三甲腈?
Yes, KEHONG BIO provides custom synthesis services for 3-(对硝基苯基)-1,3,5-戊三甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.