(4-Methyl-1,2,5-oxadiazol-3-yl)methyl acetate
TL;DR: (4-Methyl-1,2,5-oxadiazol-3-yl)methyl acetate (CAS 82812-83-7) is a chemical compound with molecular formula C6H8N2O3 and molecular weight 156.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-1,2,5-oxadiazol-3-yl)methyl acetate
Also Known As: (4-methyl-1,2,5-oxadiazol-3-yl)methyl acetate
| Molecular Formula | C6H8N2O3 |
|---|---|
| Molecular Weight | 156.05 g/mol |
| LogP | 0.44112 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.0535 |
| Heavy Atoms | 11 |
| Complexity | 256.085 |
Chemical Identifiers
| CAS Number | 82812-83-7 |
|---|---|
| SMILES | CC1=NON=C1COC(=O)C |
Product Overview
(4-Methyl-1,2,5-oxadiazol-3-yl)methyl acetate (CAS 82812-83-7), with molecular formula C6H8N2O3 and molecular weight 156.05 g/mol. IUPAC: (4-methyl-1,2,5-oxadiazol-3-yl)methyl acetate.
Chemical Property Profile of (4-Methyl-1,2,5-oxadiazol-3-yl)methyl acetate
Property Insights of (4-Methyl-1,2,5-oxadiazol-3-yl)methyl acetate
The XLogP value of 0.44112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methyl-1,2,5-oxadiazol-3-yl)methyl acetate. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methyl-1,2,5-oxadiazol-3-yl)methyl acetate. Following Lipinski's Rule of Five, (4-Methyl-1,2,5-oxadiazol-3-yl)methyl acetate has 0 hydrogen bond donor(s) and 5 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-Methyl-1,2,5-oxadiazol-3-yl)methyl acetate?
The CAS number of (4-Methyl-1,2,5-oxadiazol-3-yl)methyl acetate is 82812-83-7.
What is the molecular formula of (4-Methyl-1,2,5-oxadiazol-3-yl)methyl acetate?
The molecular formula of (4-Methyl-1,2,5-oxadiazol-3-yl)methyl acetate is C6H8N2O3.
What is the molecular weight of (4-Methyl-1,2,5-oxadiazol-3-yl)methyl acetate?
The molecular weight of (4-Methyl-1,2,5-oxadiazol-3-yl)methyl acetate is 156.05 g/mol.
Where can I buy (4-Methyl-1,2,5-oxadiazol-3-yl)methyl acetate?
You can request a quote for (4-Methyl-1,2,5-oxadiazol-3-yl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methyl-1,2,5-oxadiazol-3-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Methyl-1,2,5-oxadiazol-3-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.