1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl-
TL;DR: 1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl- (CAS 39636-01-6) is a chemical compound with molecular formula C6H10N2O3 and molecular weight 158.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxy-3-ethyl-1,3,4-oxadiazol-2-one
Also Known As: 5-Ethoxy-3-ethyl-1,3,4-oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl-1,3,4-oxadiazol-2-one, 5-ethoxy-3-ethyl-3H-[1,3,4]oxadiazol-2-one, 1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl-, 5-Ethoxy-3-ethyl-1,3,4-oxadiazol-2(3H)-one #
| Molecular Formula | C6H10N2O3 |
|---|---|
| Molecular Weight | 158.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.06914 |
| Heavy Atoms | 11 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 39636-01-6 |
|---|---|
| SMILES | CCN1C(=O)OC(=N1)OCC |
| InChIKey | VGBJEVJSMMHVST-UHFFFAOYSA-N |
Product Overview
1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl- (CAS 39636-01-6), with molecular formula C6H10N2O3 and molecular weight 158.07 g/mol. IUPAC: 5-ethoxy-3-ethyl-1,3,4-oxadiazol-2-one.
Chemical Property Profile of 1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl-
Property Insights of 1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl-. With a topological polar surface area (TPSA) of 51.1 Ų, 1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl- has 0 hydrogen bond donor(s) and 4 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 1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl-?
The CAS number of 1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl- is 39636-01-6.
What is the molecular formula of 1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl-?
The molecular formula of 1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl- is C6H10N2O3.
What is the molecular weight of 1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl-?
The molecular weight of 1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl- is 158.07 g/mol.
Where can I buy 1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl-?
You can request a quote for 1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazol-2(3H)-one, 5-ethoxy-3-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.