4-Ethoxy-3-methoxybenzonitrile
TL;DR: 4-Ethoxy-3-methoxybenzonitrile (CAS 81259-56-5) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-3-methoxybenzonitrile
Also Known As: 4-ethoxy-3-methoxybenzonitrile, Apremilast impurity 95, Apremilast Impurity 57, Mirabegron impurity 002, 3-Methoxy-4-ethoxybenzonitrile
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 1.96558 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 328.1869 |
Chemical Identifiers
| CAS Number | 81259-56-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C#N)OC |
Product Overview
4-Ethoxy-3-methoxybenzonitrile (CAS 81259-56-5), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 4-ethoxy-3-methoxybenzonitrile.
Chemical Property Profile of 4-Ethoxy-3-methoxybenzonitrile
Property Insights of 4-Ethoxy-3-methoxybenzonitrile
The XLogP value of 1.96558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxy-3-methoxybenzonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, 4-Ethoxy-3-methoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethoxy-3-methoxybenzonitrile 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 4-Ethoxy-3-methoxybenzonitrile?
The CAS number of 4-Ethoxy-3-methoxybenzonitrile is 81259-56-5.
What is the molecular formula of 4-Ethoxy-3-methoxybenzonitrile?
The molecular formula of 4-Ethoxy-3-methoxybenzonitrile is C10H11NO2.
What is the molecular weight of 4-Ethoxy-3-methoxybenzonitrile?
The molecular weight of 4-Ethoxy-3-methoxybenzonitrile is 177.08 g/mol.
Where can I buy 4-Ethoxy-3-methoxybenzonitrile?
You can request a quote for 4-Ethoxy-3-methoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxy-3-methoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxy-3-methoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.