![2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile structure](/static/products/852/852399-91-8.png)
2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile
TL;DR: 2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile (CAS 852399-91-8) is a chemical compound with molecular formula C12H9F2N3O3 and molecular weight 281.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]acetonitrile
Also Known As: 2-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile, {3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile, 2-[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]acetonitrile, 3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazole-5-acetonitrile, 2-(3-(4-(Difluoromethoxy)-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile
| Molecular Formula | C12H9F2N3O3 |
|---|---|
| Molecular Weight | 281.06 g/mol |
| LogP | 2.41268 |
| Topological Polar Surface Area | 81.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.0612 |
| Heavy Atoms | 20 |
| Complexity | 637.11804 |
Chemical Identifiers
| CAS Number | 852399-91-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=NOC(=N2)CC#N)OC(F)F |
Product Overview
2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile (CAS 852399-91-8), with molecular formula C12H9F2N3O3 and molecular weight 281.06 g/mol. IUPAC: 2-[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]acetonitrile.
Chemical Property Profile of 2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile
Property Insights of 2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile
The XLogP value of 2.41268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile. The TPSA of 81.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile. Following Lipinski's Rule of Five, 2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile has 0 hydrogen bond donor(s) and 6 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-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile?
The CAS number of 2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile is 852399-91-8.
What is the molecular formula of 2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile?
The molecular formula of 2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile is C12H9F2N3O3.
What is the molecular weight of 2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile?
The molecular weight of 2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile is 281.06 g/mol.
Where can I buy 2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile?
You can request a quote for 2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{3-[4-(Difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.