1,3,4-Oxathiazol-2-one, 5-(3-pyridinyl)-
TL;DR: 1,3,4-Oxathiazol-2-one, 5-(3-pyridinyl)- (CAS 257286-36-5) is a chemical compound with molecular formula C7H4N2O2S and molecular weight 180.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-pyridin-3-yl-1,3,4-oxathiazol-2-one
Also Known As: 1,3,4-Oxathiazol-2-one, 5-(3-pyridinyl)-, 5-(Pyridin-3-yl)-1,3,4-oxathiazol-2-one, 5-pyridin-3-yl-1,3,4-oxathiazol-2-one, 1,3,4-Oxathiazol-2-one,3-pyridinyl-, 5-(pyridin-3-yl)-2H-1,3,4-oxathiazol-2-one
| Molecular Formula | C7H4N2O2S |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.99934 |
| Heavy Atoms | 12 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 257286-36-5 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NSC(=O)O2 |
| InChIKey | UBPOITHMKKOZFC-UHFFFAOYSA-N |
Product Overview
1,3,4-Oxathiazol-2-one, 5-(3-pyridinyl)- (CAS 257286-36-5), with molecular formula C7H4N2O2S and molecular weight 180.00 g/mol. IUPAC: 5-pyridin-3-yl-1,3,4-oxathiazol-2-one.
Chemical Property Profile of 1,3,4-Oxathiazol-2-one, 5-(3-pyridinyl)-
Property Insights of 1,3,4-Oxathiazol-2-one, 5-(3-pyridinyl)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Oxathiazol-2-one, 5-(3-pyridinyl)-. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Oxathiazol-2-one, 5-(3-pyridinyl)-. Following Lipinski's Rule of Five, 1,3,4-Oxathiazol-2-one, 5-(3-pyridinyl)- 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 1,3,4-Oxathiazol-2-one, 5-(3-pyridinyl)-?
The CAS number of 1,3,4-Oxathiazol-2-one, 5-(3-pyridinyl)- is 257286-36-5.
What is the molecular formula of 1,3,4-Oxathiazol-2-one, 5-(3-pyridinyl)-?
The molecular formula of 1,3,4-Oxathiazol-2-one, 5-(3-pyridinyl)- is C7H4N2O2S.
What is the molecular weight of 1,3,4-Oxathiazol-2-one, 5-(3-pyridinyl)-?
The molecular weight of 1,3,4-Oxathiazol-2-one, 5-(3-pyridinyl)- is 180.00 g/mol.
Where can I buy 1,3,4-Oxathiazol-2-one, 5-(3-pyridinyl)-?
You can request a quote for 1,3,4-Oxathiazol-2-one, 5-(3-pyridinyl)- 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-Oxathiazol-2-one, 5-(3-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxathiazol-2-one, 5-(3-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.