![4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one structure](/static/products/404/404859-43-4.png)
4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one
TL;DR: 4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one (CAS 404859-43-4) is a chemical compound with molecular formula C7H9BrN2O2 and molecular weight 231.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one
Also Known As: J2.102.160A, 4-(4-bromobut-2-enyl)-3-methyl-1,2,4-oxadiazol-5-one, 4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one, 3-Methyl-4-[(E)-4-bromo-2-butenyl]-1,2,4-oxadiazole-5(4H)-one, 4-[(2E)-4-bromobut-2-en-1-yl]-3-methyl-4,5-dihydro-1,2,4-oxadiazol-5-one
| Molecular Formula | C7H9BrN2O2 |
|---|---|
| Molecular Weight | 231.98 g/mol |
| LogP | 1.09582 |
| Topological Polar Surface Area | 48.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.98474 |
| Heavy Atoms | 12 |
| Complexity | 326.39252 |
Chemical Identifiers
| CAS Number | 404859-43-4 |
|---|---|
| SMILES | CC1=NOC(=O)N1C/C=C/CBr |
Product Overview
4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one (CAS 404859-43-4), with molecular formula C7H9BrN2O2 and molecular weight 231.98 g/mol. IUPAC: 4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one.
Chemical Property Profile of 4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one
Property Insights of 4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one
The XLogP value of 1.09582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one. With a topological polar surface area (TPSA) of 48.03 Ų, 4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one has 0 hydrogen bond donor(s) and 3 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 4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one?
The CAS number of 4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one is 404859-43-4.
What is the molecular formula of 4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one?
The molecular formula of 4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one is C7H9BrN2O2.
What is the molecular weight of 4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one?
The molecular weight of 4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one is 231.98 g/mol.
Where can I buy 4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one?
You can request a quote for 4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-4-bromobut-2-enyl]-3-methyl-1,2,4-oxadiazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.