3-acetyl-5-amino-1,2,4-oxadiazole
TL;DR: 3-acetyl-5-amino-1,2,4-oxadiazole (CAS 42838-11-9) is a chemical compound with molecular formula C23H15Br2N3O and molecular weight 506.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromobenzoyl)-4-(4-bromophenyl)-6,7-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile
Also Known As: 3-acetyl-5-amino-1,2,4-oxadiazole, 2-(4-Bromobenzoyl)-4-(4-bromophenyl)-6,7-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile, 2-(4-Bromobenzoyl)-4-(4-bromophenyl)-6,7-dimethylpyrrolo(1,2-a)pyrimidine-8-carbonitrile, 2-(4-bromobenzoyl)-4-(4-bromophenyl)-6,7-dimethylpyrrolo[1,2, 2-(4-bromobenzoyl)-4-(4-bromophenyl)-6,7-dimethyl-pyrrolo[1,2-a]pyrimidine-8-carbonitrile
| Molecular Formula | C23H15Br2N3O |
|---|---|
| Molecular Weight | 506.96 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 506.9582 |
| Heavy Atoms | 29 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 42838-11-9 |
|---|---|
| SMILES | CC1=C(N2C(=CC(=NC2=C1C#N)C(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)C |
| InChIKey | USCYUQMCYYNADM-UHFFFAOYSA-N |
Product Overview
3-acetyl-5-amino-1,2,4-oxadiazole (CAS 42838-11-9), with molecular formula C23H15Br2N3O and molecular weight 506.96 g/mol. IUPAC: 2-(4-bromobenzoyl)-4-(4-bromophenyl)-6,7-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile.
Chemical Property Profile of 3-acetyl-5-amino-1,2,4-oxadiazole
Property Insights of 3-acetyl-5-amino-1,2,4-oxadiazole
The XLogP value of 7.0 indicates that 3-acetyl-5-amino-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 58.2 Ų, 3-acetyl-5-amino-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-acetyl-5-amino-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-acetyl-5-amino-1,2,4-oxadiazole?
The CAS number of 3-acetyl-5-amino-1,2,4-oxadiazole is 42838-11-9.
What is the molecular formula of 3-acetyl-5-amino-1,2,4-oxadiazole?
The molecular formula of 3-acetyl-5-amino-1,2,4-oxadiazole is C23H15Br2N3O.
What is the molecular weight of 3-acetyl-5-amino-1,2,4-oxadiazole?
The molecular weight of 3-acetyl-5-amino-1,2,4-oxadiazole is 506.96 g/mol.
Where can I buy 3-acetyl-5-amino-1,2,4-oxadiazole?
You can request a quote for 3-acetyl-5-amino-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-acetyl-5-amino-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-5-amino-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.