1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-
TL;DR: 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl- (CAS 70377-72-9) is a chemical compound with molecular formula C3H7N2O+ and molecular weight 87.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4,5-dihydrooxadiazol-3-ium
Also Known As: 3-Methyl-1,2,3-oxadiazolinium ion, 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, 3-methyl-4,5-dihydrooxadiazol-3-ium, 3-methyl-4,5-dihydro-1,2,3-oxadiazol-3-ium, (3-Methyl-4,5-dihydro-1,2,3-oxadiazol)-3-ium
| Molecular Formula | C3H7N2O+ |
|---|---|
| Molecular Weight | 87.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 24.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 87.05584 |
| Heavy Atoms | 6 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 70377-72-9 |
|---|---|
| SMILES | C[N+]1=NOCC1 |
| InChIKey | JYLJGVJKVHKOPN-UHFFFAOYSA-N |
Product Overview
1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl- (CAS 70377-72-9), with molecular formula C3H7N2O+ and molecular weight 87.06 g/mol. IUPAC: 3-methyl-4,5-dihydrooxadiazol-3-ium.
Chemical Property Profile of 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-
Property Insights of 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-. With a topological polar surface area (TPSA) of 24.6 Ų, 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl- has 0 hydrogen bond donor(s) and 2 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 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-?
The CAS number of 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl- is 70377-72-9.
What is the molecular formula of 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-?
The molecular formula of 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl- is C3H7N2O+.
What is the molecular weight of 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-?
The molecular weight of 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl- is 87.06 g/mol.
Where can I buy 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-?
You can request a quote for 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.