2-Ethoxybenzonitrile
TL;DR: 2-Ethoxybenzonitrile (CAS 6630-91-7) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxybenzonitrile
Also Known As: 2-Ethoxybenzonitrile, Benzonitrile, ethoxy-, o-ETHOXYBENZONITRILE, 2-Methoxybenzonitrile, 2-ethoxy benzonitrile
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 6630-91-7 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C#N |
| InChIKey | DXTLCLWOCYLDHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethoxybenzonitrile (CAS 6630-91-7), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 2-ethoxybenzonitrile.
Chemical Property Profile of 2-Ethoxybenzonitrile
Property Insights of 2-Ethoxybenzonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxybenzonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 2-Ethoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethoxybenzonitrile has 0 hydrogen bond donor(s) and 2 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-Ethoxybenzonitrile?
The CAS number of 2-Ethoxybenzonitrile is 6630-91-7.
What is the molecular formula of 2-Ethoxybenzonitrile?
The molecular formula of 2-Ethoxybenzonitrile is C9H9NO.
What is the molecular weight of 2-Ethoxybenzonitrile?
The molecular weight of 2-Ethoxybenzonitrile is 147.07 g/mol.
Where can I buy 2-Ethoxybenzonitrile?
You can request a quote for 2-Ethoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.