4-Amino-2,5-diethoxybenzonitrile
TL;DR: 4-Amino-2,5-diethoxybenzonitrile (CAS 500341-69-5) is a chemical compound with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2,5-diethoxybenzonitrile
Also Known As: 4-amino-2,5-diethoxybenzonitrile, Benzonitrile,4-amino-2,5-diethoxy-, Benzonitrile, 4-amino-2,5-diethoxy- (9CI), BENZONITRILE, 4-AMINO-2,5-DIETHOXY-
| Molecular Formula | C11H14N2O2 |
|---|---|
| Molecular Weight | 206.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.10553 |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 500341-69-5 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1C#N)OCC)N |
| InChIKey | PPJFZEGZGJURFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-2,5-diethoxybenzonitrile (CAS 500341-69-5), with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol. IUPAC: 4-amino-2,5-diethoxybenzonitrile.
Chemical Property Profile of 4-Amino-2,5-diethoxybenzonitrile
Property Insights of 4-Amino-2,5-diethoxybenzonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2,5-diethoxybenzonitrile. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2,5-diethoxybenzonitrile. Following Lipinski's Rule of Five, 4-Amino-2,5-diethoxybenzonitrile has 1 hydrogen bond donor(s) and 4 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-Amino-2,5-diethoxybenzonitrile?
The CAS number of 4-Amino-2,5-diethoxybenzonitrile is 500341-69-5.
What is the molecular formula of 4-Amino-2,5-diethoxybenzonitrile?
The molecular formula of 4-Amino-2,5-diethoxybenzonitrile is C11H14N2O2.
What is the molecular weight of 4-Amino-2,5-diethoxybenzonitrile?
The molecular weight of 4-Amino-2,5-diethoxybenzonitrile is 206.11 g/mol.
Where can I buy 4-Amino-2,5-diethoxybenzonitrile?
You can request a quote for 4-Amino-2,5-diethoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2,5-diethoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2,5-diethoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.