1,3,4-Oxadiazol-2(5H)-one, 5,5-dimethyl-
TL;DR: 1,3,4-Oxadiazol-2(5H)-one, 5,5-dimethyl- (CAS 28873-61-2) is a chemical compound with molecular formula C4H6N2O2 and molecular weight 114.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-1,3,4-oxadiazol-2-one
Also Known As: 1,3,4-Oxadiazol-2(5H)-one, 5,5-dimethyl-, 5,5-dimethyl-1,3,4-oxadiazol-2-one, 5,5-dimethyl-5H-[1,3,4]oxadiazol-2-one, 1,3,4-Oxadiazol-2(5H)-one,5,5-dimethyl-, 5,5-Dimethyl-1,3,4-oxadiazol-2(5H)-one
| Molecular Formula | C4H6N2O2 |
|---|---|
| Molecular Weight | 114.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.04293 |
| Heavy Atoms | 8 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 28873-61-2 |
|---|---|
| SMILES | CC1(N=NC(=O)O1)C |
| InChIKey | APLAWSQBLGCLQT-UHFFFAOYSA-N |
Product Overview
1,3,4-Oxadiazol-2(5H)-one, 5,5-dimethyl- (CAS 28873-61-2), with molecular formula C4H6N2O2 and molecular weight 114.04 g/mol. IUPAC: 5,5-dimethyl-1,3,4-oxadiazol-2-one.
Chemical Property Profile of 1,3,4-Oxadiazol-2(5H)-one, 5,5-dimethyl-
Property Insights of 1,3,4-Oxadiazol-2(5H)-one, 5,5-dimethyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Oxadiazol-2(5H)-one, 5,5-dimethyl-. With a topological polar surface area (TPSA) of 51.0 Ų, 1,3,4-Oxadiazol-2(5H)-one, 5,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-Oxadiazol-2(5H)-one, 5,5-dimethyl- 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 1,3,4-Oxadiazol-2(5H)-one, 5,5-dimethyl-?
The CAS number of 1,3,4-Oxadiazol-2(5H)-one, 5,5-dimethyl- is 28873-61-2.
What is the molecular formula of 1,3,4-Oxadiazol-2(5H)-one, 5,5-dimethyl-?
The molecular formula of 1,3,4-Oxadiazol-2(5H)-one, 5,5-dimethyl- is C4H6N2O2.
What is the molecular weight of 1,3,4-Oxadiazol-2(5H)-one, 5,5-dimethyl-?
The molecular weight of 1,3,4-Oxadiazol-2(5H)-one, 5,5-dimethyl- is 114.04 g/mol.
Where can I buy 1,3,4-Oxadiazol-2(5H)-one, 5,5-dimethyl-?
You can request a quote for 1,3,4-Oxadiazol-2(5H)-one, 5,5-dimethyl- 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(5H)-one, 5,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazol-2(5H)-one, 5,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.