4-(2-氰乙基)-4-硝基庚二腈
TL;DR: 4-(2-氰乙基)-4-硝基庚二腈 (CAS 1466-48-4) is a chemical compound with molecular formula C10H12N4O2 and molecular weight 220.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-氰乙基)-4-硝基庚二腈
4-(2-cyanoethyl)-4-nitroheptanedinitrile
Also Known As: 1,1,1-Tris(2-cyanoethyl)nitromethane, 4-(2-Cyanoethyl)-4-nitroheptanedinitrile, Tris(2-cyanoethyl)nitromethane, Propargylmethacrylate, 4-Cyanoethyl-4-nitropimelonitrile
| Molecular Formula | C10H12N4O2 |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.09602 |
| Heavy Atoms | 16 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 1466-48-4 |
|---|---|
| SMILES | C(CC(CCC#N)(CCC#N)[N+](=O)[O-])C#N |
| InChIKey | MUPJJZVGSOUSFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-氰乙基)-4-硝基庚二腈 (CAS 1466-48-4), with molecular formula C10H12N4O2 and molecular weight 220.10 g/mol. IUPAC: 4-(2-cyanoethyl)-4-nitroheptanedinitrile.
Chemical Property Profile of 4-(2-氰乙基)-4-硝基庚二腈
Property Insights of 4-(2-氰乙基)-4-硝基庚二腈
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-氰乙基)-4-硝基庚二腈. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-氰乙基)-4-硝基庚二腈. Following Lipinski's Rule of Five, 4-(2-氰乙基)-4-硝基庚二腈 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 4-(2-氰乙基)-4-硝基庚二腈?
The CAS number of 4-(2-氰乙基)-4-硝基庚二腈 is 1466-48-4.
What is the molecular formula of 4-(2-氰乙基)-4-硝基庚二腈?
The molecular formula of 4-(2-氰乙基)-4-硝基庚二腈 is C10H12N4O2.
What is the molecular weight of 4-(2-氰乙基)-4-硝基庚二腈?
The molecular weight of 4-(2-氰乙基)-4-硝基庚二腈 is 220.10 g/mol.
Where can I buy 4-(2-氰乙基)-4-硝基庚二腈?
You can request a quote for 4-(2-氰乙基)-4-硝基庚二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-氰乙基)-4-硝基庚二腈?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-氰乙基)-4-硝基庚二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.