![5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile structure](/static/products/852/852216-14-9.png)
5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile
TL;DR: 5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile (CAS 852216-14-9) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-(oxolan-2-ylmethylamino)benzonitrile
Also Known As: 5-nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile, 5-nitro-2-(oxolan-2-ylmethylamino)benzonitrile, 5-Nitro-2-(((tetrahydrofuran-2-yl)methyl)amino)benzonitrile, 5-nitro-2-[(oxolan-2-ylmethyl)amino]benzonitrile, 5-nitro-2-{[(oxolan-2-yl)methyl]amino}benzonitrile
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 2.05738 |
| Topological Polar Surface Area | 88.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 489.83127 |
Chemical Identifiers
| CAS Number | 852216-14-9 |
|---|---|
| SMILES | C1CC(OC1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N |
Product Overview
5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile (CAS 852216-14-9), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: 5-nitro-2-(oxolan-2-ylmethylamino)benzonitrile.
Chemical Property Profile of 5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile
Property Insights of 5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile
The XLogP value of 2.05738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile. The TPSA of 88.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile. Following Lipinski's Rule of Five, 5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile has 1 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 5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile?
The CAS number of 5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile is 852216-14-9.
What is the molecular formula of 5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile?
The molecular formula of 5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile is C12H13N3O3.
What is the molecular weight of 5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile?
The molecular weight of 5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile is 247.10 g/mol.
Where can I buy 5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile?
You can request a quote for 5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.