2,6-Diethoxybenzonitrile
TL;DR: 2,6-Diethoxybenzonitrile (CAS 71411-93-3) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diethoxybenzonitrile
Also Known As: 2,6-Diethoxybenzonitrile, Benzonitrile,2,6-diethoxy-, EINECS 275-400-3, 275-400-3, RefChem:83209
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 2.35568 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 317.38104 |
Chemical Identifiers
| CAS Number | 71411-93-3 |
|---|---|
| SMILES | CCOC1=C(C(=CC=C1)OCC)C#N |
Product Overview
2,6-Diethoxybenzonitrile (CAS 71411-93-3), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: 2,6-diethoxybenzonitrile.
Chemical Property Profile of 2,6-Diethoxybenzonitrile
Property Insights of 2,6-Diethoxybenzonitrile
The XLogP value of 2.35568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Diethoxybenzonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, 2,6-Diethoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Diethoxybenzonitrile has 0 hydrogen bond donor(s) and 3 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 2,6-Diethoxybenzonitrile?
The CAS number of 2,6-Diethoxybenzonitrile is 71411-93-3.
What is the molecular formula of 2,6-Diethoxybenzonitrile?
The molecular formula of 2,6-Diethoxybenzonitrile is C11H13NO2.
What is the molecular weight of 2,6-Diethoxybenzonitrile?
The molecular weight of 2,6-Diethoxybenzonitrile is 191.09 g/mol.
Where can I buy 2,6-Diethoxybenzonitrile?
You can request a quote for 2,6-Diethoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Diethoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Diethoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.