![3-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole structure](/static/products/855/855459-91-5.png)
3-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
TL;DR: 3-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole (CAS 855459-91-5) is a chemical compound with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone
Also Known As: 3-(4-methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole, 1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone, 1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenyl-ethanone
| Molecular Formula | C21H21N3O2 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | 3.95122 |
| Topological Polar Surface Area | 59.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.1634 |
| Heavy Atoms | 26 |
| Complexity | 887.13434 |
Chemical Identifiers
| CAS Number | 855459-91-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NOC(=N2)C3CCCN3C(=O)CC4=CC=CC=C4 |
Product Overview
3-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole (CAS 855459-91-5), with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol. IUPAC: 1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone.
Chemical Property Profile of 3-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
Property Insights of 3-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
The XLogP value of 3.95122 indicates that 3-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.23 Ų, 3-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole 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-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The CAS number of 3-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole is 855459-91-5.
What is the molecular formula of 3-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The molecular formula of 3-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole is C21H21N3O2.
What is the molecular weight of 3-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The molecular weight of 3-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole is 347.16 g/mol.
Where can I buy 3-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
You can request a quote for 3-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.