![2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile structure](/static/products/844/844651-62-3.png)
2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
TL;DR: 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile (CAS 844651-62-3) is a chemical compound with molecular formula C21H18Cl2N4O2 and molecular weight 428.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
Also Known As: 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile, 2-((2,4-dichlorophenoxy)methyl)-5-(4-phenylpiperazin-1-yl)oxazole-4-carbonitrile, 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenyl-1-piperazinyl)-4-oxazolecarbonitrile, 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazino)oxazole-4-carbonitrile, 2-[[2,4-bis(chloranyl)phenoxy]methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
| Molecular Formula | C21H18Cl2N4O2 |
|---|---|
| Molecular Weight | 428.08 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.0807 |
| Heavy Atoms | 29 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 844651-62-3 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C3=C(N=C(O3)COC4=C(C=C(C=C4)Cl)Cl)C#N |
| InChIKey | UOWRUJGTUKGNKX-UHFFFAOYSA-N |
Product Overview
2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile (CAS 844651-62-3), with molecular formula C21H18Cl2N4O2 and molecular weight 428.08 g/mol. IUPAC: 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
Property Insights of 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
The XLogP value of 5.2 indicates that 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
The CAS number of 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile is 844651-62-3.
What is the molecular formula of 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
The molecular formula of 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile is C21H18Cl2N4O2.
What is the molecular weight of 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
The molecular weight of 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile is 428.08 g/mol.
Where can I buy 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
You can request a quote for 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-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 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.