2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile
TL;DR: 2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile (CAS 213749-91-8) is a chemical compound with molecular formula C19H26N2O2 and molecular weight 314.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(cyanomethyl)-2-(2-ethylhexoxy)-5-methoxyphenyl]acetonitrile
Also Known As: 2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile, 2-METHOXY-5- BENZENE-1&, 2-(2-ETHLHXYLOXY)-5-METHOXY 1G., 2-(2-ETHLHXYLOXY)-5-METHOXY 5G., 2-[4-(cyanomethyl)-2-(2-ethylhexoxy)-5-methoxyphenyl]acetonitrile
| Molecular Formula | C19H26N2O2 |
|---|---|
| Molecular Weight | 314.20 g/mol |
| LogP | 4.42256 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 314.19943 |
| Heavy Atoms | 23 |
| Complexity | 569.95795 |
Chemical Identifiers
| CAS Number | 213749-91-8 |
|---|---|
| SMILES | CCCCC(CC)COC1=CC(=C(C=C1CC#N)OC)CC#N |
Product Overview
2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile (CAS 213749-91-8), with molecular formula C19H26N2O2 and molecular weight 314.20 g/mol. IUPAC: 2-[4-(cyanomethyl)-2-(2-ethylhexoxy)-5-methoxyphenyl]acetonitrile.
Chemical Property Profile of 2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile
Property Insights of 2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile
The XLogP value of 4.42256 indicates that 2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile. Following Lipinski's Rule of Five, 2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile has 0 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 2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile?
The CAS number of 2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile is 213749-91-8.
What is the molecular formula of 2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile?
The molecular formula of 2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile is C19H26N2O2.
What is the molecular weight of 2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile?
The molecular weight of 2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile is 314.20 g/mol.
Where can I buy 2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile?
You can request a quote for 2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.