4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride
TL;DR: 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride (CAS 1391051-92-5) is a chemical compound with molecular formula C16H12ClNO3S and molecular weight 333.02264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonyl chloride
Also Known As: Valdecoxib Impurity F, Valdecoxib Sulfonyl Chloride, 4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonyl chloride, Parecoxib Impurity 23, Valdecoxib EP Impurity F
Technical Specifications
| Molecular Formula | C16H12ClNO3S |
| Molecular Weight | 333.02264 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.02264 Da |
| Heavy Atoms | 22 |
| Complexity | 464.0 |
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)Cl |
| InChIKey | NVKQPOHDVWNXRP-UHFFFAOYSA-N |
Chemical Property Profile of 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride
Property Insights of 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride
The XLogP value of 4.1 indicates that 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride. Following Lipinski's Rule of Five, 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride?
The CAS number of 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride is 1391051-92-5.
What is the molecular formula of 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride?
The molecular formula of 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride is C16H12ClNO3S.
What is the molecular weight of 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride?
The molecular weight of 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride is 333.02264 g/mol.
Where can I buy 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride?
You can request a quote for 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride?
Yes, CoreyChem provides custom synthesis services for 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.