Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester
TL;DR: Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester (CAS 345631-75-6) is a chemical compound with molecular formula C13H15N3O4 and molecular weight 277.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-oxo-3-pyridin-3-yl-1,2,4-oxadiazol-4-yl)methyl 2,2-dimethylpropanoate
Also Known As: Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester, J1.541.945H, (5-oxo-3-pyridin-3-yl-1,2,4-oxadiazol-4-yl)methyl 2,2-dimethylpropanoate, 4-(Pivaloyloxymethyl)-3-(3-pyridyl)-1,2,4-oxadiazole-5(4H)-one, [5-oxo-3-(3-pyridyl)-1,2,4-oxadiazol-4-yl]methyl 2,2-dimethylpropanoate
| Molecular Formula | C13H15N3O4 |
|---|---|
| Molecular Weight | 277.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.10626 |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 345631-75-6 |
|---|---|
| SMILES | CC(C)(C)C(=O)OCN1C(=NOC1=O)C2=CN=CC=C2 |
| InChIKey | PEYSUSOHELZSGC-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester (CAS 345631-75-6), with molecular formula C13H15N3O4 and molecular weight 277.11 g/mol. IUPAC: (5-oxo-3-pyridin-3-yl-1,2,4-oxadiazol-4-yl)methyl 2,2-dimethylpropanoate.
Chemical Property Profile of Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester
Property Insights of Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester. Following Lipinski's Rule of Five, Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester has 0 hydrogen bond donor(s) and 6 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 Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester?
The CAS number of Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester is 345631-75-6.
What is the molecular formula of Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester?
The molecular formula of Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester is C13H15N3O4.
What is the molecular weight of Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester?
The molecular weight of Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester is 277.11 g/mol.
Where can I buy Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester?
You can request a quote for Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.