3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile
TL;DR: 3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile (CAS 852933-96-1) is a chemical compound with molecular formula C17H13N3O and molecular weight 275.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile
Also Known As: 2-[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]acetonitrile, (3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile, 2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile, 3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile, [3-(Diphenylmethyl)-1,2,4-oxadiazol-5-yl]acetonitrile
| Molecular Formula | C17H13N3O |
|---|---|
| Molecular Weight | 275.11 g/mol |
| LogP | 3.31588 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.10587 |
| Heavy Atoms | 21 |
| Complexity | 704.9662 |
Chemical Identifiers
| CAS Number | 852933-96-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NOC(=N3)CC#N |
Product Overview
3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile (CAS 852933-96-1), with molecular formula C17H13N3O and molecular weight 275.11 g/mol. IUPAC: 2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile.
Chemical Property Profile of 3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile
Property Insights of 3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile
The XLogP value of 3.31588 indicates that 3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile. Following Lipinski's Rule of Five, 3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile has 0 hydrogen bond donor(s) and 4 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-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile?
The CAS number of 3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile is 852933-96-1.
What is the molecular formula of 3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile?
The molecular formula of 3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile is C17H13N3O.
What is the molecular weight of 3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile?
The molecular weight of 3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile is 275.11 g/mol.
Where can I buy 3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile?
You can request a quote for 3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.