2-((2,4-dichlorophenoxy)methyl)-5-(3,4-dihydroisoquinolin-2(1H)-yl)oxazole-4-carbonitrile
TL;DR: 2-((2,4-dichlorophenoxy)methyl)-5-(3,4-dihydroisoquinolin-2(1H)-yl)oxazole-4-carbonitrile (CAS 847159-69-7) is a chemical compound with molecular formula C20H15Cl2N3O2 and molecular weight 399.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dichlorophenoxy)methyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-oxazole-4-carbonitrile
Also Known As: 2-((2,4-dichlorophenoxy)methyl)-5-(3,4-dihydroisoquinolin-2(1H)-yl)oxazole-4-carbonitrile, 2-[(2,4-dichlorophenoxy)methyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-oxazole-4-carbonitrile, 2-[(2,4-dichlorophenoxy)methyl]-5-(3,4-dihydroisoquinolin-2(1H)-yl)-1,3-oxazole-4-carbonitrile
| Molecular Formula | C20H15Cl2N3O2 |
|---|---|
| Molecular Weight | 399.05 g/mol |
| LogP | 4.99478 |
| Topological Polar Surface Area | 62.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.05414 |
| Heavy Atoms | 27 |
| Complexity | 1026.3065 |
Chemical Identifiers
| CAS Number | 847159-69-7 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C3=C(N=C(O3)COC4=C(C=C(C=C4)Cl)Cl)C#N |
Product Overview
2-((2,4-dichlorophenoxy)methyl)-5-(3,4-dihydroisoquinolin-2(1H)-yl)oxazole-4-carbonitrile (CAS 847159-69-7), with molecular formula C20H15Cl2N3O2 and molecular weight 399.05 g/mol. IUPAC: 2-[(2,4-dichlorophenoxy)methyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 2-((2,4-dichlorophenoxy)methyl)-5-(3,4-dihydroisoquinolin-2(1H)-yl)oxazole-4-carbonitrile
Property Insights of 2-((2,4-dichlorophenoxy)methyl)-5-(3,4-dihydroisoquinolin-2(1H)-yl)oxazole-4-carbonitrile
The XLogP value of 4.99478 indicates that 2-((2,4-dichlorophenoxy)methyl)-5-(3,4-dihydroisoquinolin-2(1H)-yl)oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2,4-dichlorophenoxy)methyl)-5-(3,4-dihydroisoquinolin-2(1H)-yl)oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 2-((2,4-dichlorophenoxy)methyl)-5-(3,4-dihydroisoquinolin-2(1H)-yl)oxazole-4-carbonitrile has 0 hydrogen bond donor(s) and 5 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-((2,4-dichlorophenoxy)methyl)-5-(3,4-dihydroisoquinolin-2(1H)-yl)oxazole-4-carbonitrile?
The CAS number of 2-((2,4-dichlorophenoxy)methyl)-5-(3,4-dihydroisoquinolin-2(1H)-yl)oxazole-4-carbonitrile is 847159-69-7.
What is the molecular formula of 2-((2,4-dichlorophenoxy)methyl)-5-(3,4-dihydroisoquinolin-2(1H)-yl)oxazole-4-carbonitrile?
The molecular formula of 2-((2,4-dichlorophenoxy)methyl)-5-(3,4-dihydroisoquinolin-2(1H)-yl)oxazole-4-carbonitrile is C20H15Cl2N3O2.
What is the molecular weight of 2-((2,4-dichlorophenoxy)methyl)-5-(3,4-dihydroisoquinolin-2(1H)-yl)oxazole-4-carbonitrile?
The molecular weight of 2-((2,4-dichlorophenoxy)methyl)-5-(3,4-dihydroisoquinolin-2(1H)-yl)oxazole-4-carbonitrile is 399.05 g/mol.
Where can I buy 2-((2,4-dichlorophenoxy)methyl)-5-(3,4-dihydroisoquinolin-2(1H)-yl)oxazole-4-carbonitrile?
You can request a quote for 2-((2,4-dichlorophenoxy)methyl)-5-(3,4-dihydroisoquinolin-2(1H)-yl)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-(3,4-dihydroisoquinolin-2(1H)-yl)oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,4-dichlorophenoxy)methyl)-5-(3,4-dihydroisoquinolin-2(1H)-yl)oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.