3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride
TL;DR: 3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride (CAS 423768-48-3) is a chemical compound with molecular formula C8H6ClN3O2S and molecular weight 242.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carbonyl chloride
Also Known As: 2-Methoxybenzoicacid, 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride, 3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carbonyl chloride, 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-1,2-oxazole-4-carbonyl chloride, 3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)isoxazole-4-carbonyl chloride
| Molecular Formula | C8H6ClN3O2S |
|---|---|
| Molecular Weight | 242.99 g/mol |
| LogP | 2.18894 |
| Topological Polar Surface Area | 68.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.98692 |
| Heavy Atoms | 15 |
| Complexity | 519.689 |
Chemical Identifiers
| CAS Number | 423768-48-3 |
|---|---|
| SMILES | CC1=C(SN=N1)C2=C(C(=NO2)C)C(=O)Cl |
Product Overview
3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride (CAS 423768-48-3), with molecular formula C8H6ClN3O2S and molecular weight 242.99 g/mol. IUPAC: 3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carbonyl chloride.
Chemical Property Profile of 3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride
Property Insights of 3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride
The XLogP value of 2.18894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride. The TPSA of 68.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride. Following Lipinski's Rule of Five, 3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride 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 3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride?
The CAS number of 3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride is 423768-48-3.
What is the molecular formula of 3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride?
The molecular formula of 3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride is C8H6ClN3O2S.
What is the molecular weight of 3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride?
The molecular weight of 3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride is 242.99 g/mol.
Where can I buy 3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride?
You can request a quote for 3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolecarbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.