![3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile structure](/static/products/866/866152-91-2.png)
3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile
TL;DR: 3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile (CAS 866152-91-2) is a chemical compound with molecular formula C18H13Cl2N3O3 and molecular weight 389.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]propanenitrile
Also Known As: 3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile, 3-[5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]propanenitrile, 3-(5-{4-[(2,4-dichlorophenyl)methoxy]phenyl}-2-oxo-2,3-dihydro-1,3,4-oxadiazol-3-yl)propanenitrile
| Molecular Formula | C18H13Cl2N3O3 |
|---|---|
| Molecular Weight | 389.03 g/mol |
| LogP | 4.30278 |
| Topological Polar Surface Area | 81.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.0334 |
| Heavy Atoms | 26 |
| Complexity | 1003.75616 |
Chemical Identifiers
| CAS Number | 866152-91-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN(C(=O)O2)CCC#N)OCC3=C(C=C(C=C3)Cl)Cl |
Product Overview
3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile (CAS 866152-91-2), with molecular formula C18H13Cl2N3O3 and molecular weight 389.03 g/mol. IUPAC: 3-[5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]propanenitrile.
Chemical Property Profile of 3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile
Property Insights of 3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile
The XLogP value of 4.30278 indicates that 3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile. Following Lipinski's Rule of Five, 3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile 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 3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile?
The CAS number of 3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile is 866152-91-2.
What is the molecular formula of 3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile?
The molecular formula of 3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile is C18H13Cl2N3O3.
What is the molecular weight of 3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile?
The molecular weight of 3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile is 389.03 g/mol.
Where can I buy 3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile?
You can request a quote for 3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-oxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.