3-Nitro-4-(oxolan-2-ylmethylamino)benzonitrile
TL;DR: 3-Nitro-4-(oxolan-2-ylmethylamino)benzonitrile (CAS 353466-76-9) 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.
3-nitro-4-(oxolan-2-ylmethylamino)benzonitrile
Also Known As: 3-nitro-4-(oxolan-2-ylmethylamino)benzonitrile, 3-nitro-4-[(tetrahydro-2-furanylmethyl)amino]benzonitrile, 3-nitro-4-[(oxolan-2-ylmethyl)amino]benzenecarbonitrile, 3-nitro-4-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile, 3-nitro-4-(((tetrahydrofuran-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 | 353466-76-9 |
|---|---|
| SMILES | C1CC(OC1)CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-] |
Product Overview
3-Nitro-4-(oxolan-2-ylmethylamino)benzonitrile (CAS 353466-76-9), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: 3-nitro-4-(oxolan-2-ylmethylamino)benzonitrile.
Chemical Property Profile of 3-Nitro-4-(oxolan-2-ylmethylamino)benzonitrile
Property Insights of 3-Nitro-4-(oxolan-2-ylmethylamino)benzonitrile
The XLogP value of 2.05738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-(oxolan-2-ylmethylamino)benzonitrile. The TPSA of 88.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-(oxolan-2-ylmethylamino)benzonitrile. Following Lipinski's Rule of Five, 3-Nitro-4-(oxolan-2-ylmethylamino)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 3-Nitro-4-(oxolan-2-ylmethylamino)benzonitrile?
The CAS number of 3-Nitro-4-(oxolan-2-ylmethylamino)benzonitrile is 353466-76-9.
What is the molecular formula of 3-Nitro-4-(oxolan-2-ylmethylamino)benzonitrile?
The molecular formula of 3-Nitro-4-(oxolan-2-ylmethylamino)benzonitrile is C12H13N3O3.
What is the molecular weight of 3-Nitro-4-(oxolan-2-ylmethylamino)benzonitrile?
The molecular weight of 3-Nitro-4-(oxolan-2-ylmethylamino)benzonitrile is 247.10 g/mol.
Where can I buy 3-Nitro-4-(oxolan-2-ylmethylamino)benzonitrile?
You can request a quote for 3-Nitro-4-(oxolan-2-ylmethylamino)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-(oxolan-2-ylmethylamino)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-(oxolan-2-ylmethylamino)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.