![5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile structure](/static/products/606/606946-89-8.png)
5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
TL;DR: 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile (CAS 606946-89-8) is a chemical compound with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
Also Known As: 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile, 5-((3,4-dimethoxyphenethyl)amino)-2-((4-methoxyphenoxy)methyl)oxazole-4-carbonitrile, 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
| Molecular Formula | C22H23N3O5 |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 3.80568 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 409.16376 |
| Heavy Atoms | 30 |
| Complexity | 1008.6027 |
Chemical Identifiers
| CAS Number | 606946-89-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OCC2=NC(=C(O2)NCCC3=CC(=C(C=C3)OC)OC)C#N |
Product Overview
5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile (CAS 606946-89-8), with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol. IUPAC: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
Property Insights of 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
The XLogP value of 3.80568 indicates that 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile has 1 hydrogen bond donor(s) and 8 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 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The CAS number of 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile is 606946-89-8.
What is the molecular formula of 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The molecular formula of 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile is C22H23N3O5.
What is the molecular weight of 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The molecular weight of 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile is 409.16 g/mol.
Where can I buy 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
You can request a quote for 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.