Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, acetate
TL;DR: Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, acetate (CAS 5543-31-7) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl acetate
Also Known As: Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, acetate, (3-phenyl-1,2,4-oxadiazol-5-yl)methyl acetate, OXADIAZOLE-5-METHANOL,1,2,4-,3-PHENYL-,ACETATE, RefChem:367069
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 5543-31-7 |
|---|---|
| SMILES | CC(=O)OCC1=NC(=NO1)C2=CC=CC=C2 |
| InChIKey | KLBDNOFAVLSEIC-UHFFFAOYSA-N |
Product Overview
Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, acetate (CAS 5543-31-7), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl acetate.
Chemical Property Profile of Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, acetate
Property Insights of Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, acetate. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, acetate. Following Lipinski's Rule of Five, Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, 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 Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, acetate?
The CAS number of Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, acetate is 5543-31-7.
What is the molecular formula of Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, acetate?
The molecular formula of Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, acetate is C11H10N2O3.
What is the molecular weight of Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, acetate?
The molecular weight of Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, acetate is 218.07 g/mol.
Where can I buy Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, acetate?
You can request a quote for Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Oxadiazole-5-methanol, 1,2,4-, 3-phenyl-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.