1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)
TL;DR: 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1) (CAS 70377-73-0) is a chemical compound with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonate;3-methyl-4,5-dihydrooxadiazol-3-ium
Also Known As: 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1), 4,5-Dihydro-3-methyl-1,2,3-oxadiazolium salt with 4-methylbenzenesulfonic acid (1:1), 4-methylbenzenesulfonate,3-methyl-4,5-dihydrooxadiazol-3-ium, 4-methylbenzenesulfonate; 3-methyl-4,5-dihydrooxadiazol-3-ium, 3-Methyl-4,5-dihydro-1,2,3-oxadiazol-3-ium 4-methylbenzene-1-sulfonate
| Molecular Formula | C10H14N2O4S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 0.92522 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.0674 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 70377-73-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=NOCC1 |
| InChIKey | QUBNFVXCGNKJCK-UHFFFAOYSA-M |
Product Overview
1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1) (CAS 70377-73-0), with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol. IUPAC: 4-methylbenzenesulfonate;3-methyl-4,5-dihydrooxadiazol-3-ium.
Chemical Property Profile of 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)
Property Insights of 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)
The XLogP value of 0.92522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1). The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1). Following Lipinski's Rule of Five, 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1) 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 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)?
The CAS number of 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1) is 70377-73-0.
What is the molecular formula of 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)?
The molecular formula of 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1) is C10H14N2O4S.
What is the molecular weight of 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)?
The molecular weight of 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1) is 258.07 g/mol.
Where can I buy 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)?
You can request a quote for 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1) 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-, salt with 4-methylbenzenesulfonic acid (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.