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Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate
TL;DR: Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate (CAS 303985-22-0) is a chemical compound with molecular formula C9H13NO5S and molecular weight 247.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetate
Also Known As: methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate, 11L-572S, methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methanesulfonyl]acetate, methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetate, methyl 2-([(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl)acetate
| Molecular Formula | C9H13NO5S |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | 0.37924 |
| Topological Polar Surface Area | 86.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.05144 |
| Heavy Atoms | 16 |
| Complexity | 468.49765 |
Chemical Identifiers
| CAS Number | 303985-22-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CS(=O)(=O)CC(=O)OC |
Product Overview
Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate (CAS 303985-22-0), with molecular formula C9H13NO5S and molecular weight 247.05 g/mol. IUPAC: methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetate.
Chemical Property Profile of Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate
Property Insights of Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate
The XLogP value of 0.37924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate. The TPSA of 86.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate. Following Lipinski's Rule of Five, Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate 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 Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate?
The CAS number of Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate is 303985-22-0.
What is the molecular formula of Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate?
The molecular formula of Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate is C9H13NO5S.
What is the molecular weight of Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate?
The molecular weight of Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate is 247.05 g/mol.
Where can I buy Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate?
You can request a quote for Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfonyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.