![5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine structure](/static/products/6802/680216-16-4.webp)
5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine
TL;DR: 5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine (CAS 680216-16-4) is a chemical compound with molecular formula C12H14ClN3O3S and molecular weight 315.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(tert-butylsulfonylmethyl)-5-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole
Also Known As: 5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine, 5-[3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl]-2-chloropyridine, 2-chloro-5-{3-[(2-methylpropane-2-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}pyridine, 3-(tert-butylsulfonylmethyl)-5-(6-chloropyridin-3-yl)-1,2,4-oxadiazole, 5-{3-[(tert-Butylsulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine
| Molecular Formula | C12H14ClN3O3S |
|---|---|
| Molecular Weight | 315.04 g/mol |
| LogP | 2.4983 |
| Topological Polar Surface Area | 85.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.04443 |
| Heavy Atoms | 20 |
| Complexity | 702.29395 |
Chemical Identifiers
| CAS Number | 680216-16-4 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)CC1=NOC(=N1)C2=CN=C(C=C2)Cl |
Product Overview
5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine (CAS 680216-16-4), with molecular formula C12H14ClN3O3S and molecular weight 315.04 g/mol. IUPAC: 3-(tert-butylsulfonylmethyl)-5-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole.
Chemical Property Profile of 5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine
Property Insights of 5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine
The XLogP value of 2.4983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine. The TPSA of 85.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine. Following Lipinski's Rule of Five, 5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine has 0 hydrogen bond donor(s) and 6 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 5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine?
The CAS number of 5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine is 680216-16-4.
What is the molecular formula of 5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine?
The molecular formula of 5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine is C12H14ClN3O3S.
What is the molecular weight of 5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine?
The molecular weight of 5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine is 315.04 g/mol.
Where can I buy 5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine?
You can request a quote for 5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine?
Yes, KEHONG BIO provides custom synthesis services for 5-{3-[(tert-Butylsulphonyl)methyl]-1,2,4-oxadiazol-5-yl}-2-chloropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.