![5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole structure](/static/products/3389/338962-45-1.webp)
5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole
TL;DR: 5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole (CAS 338962-45-1) is a chemical compound with molecular formula C12H13NO3S and molecular weight 251.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(ethylsulfonylmethyl)-3-phenyl-1,2-oxazole
Also Known As: 5-[(ethylsulfonyl)methyl]-3-phenylisoxazole, 5-(ethylsulfonylmethyl)-3-phenyl-1,2-oxazole, 5-[(ethanesulfonyl)methyl]-3-phenyl-1,2-oxazole, 5M-340S
| Molecular Formula | C12H13NO3S |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 2.2763 |
| Topological Polar Surface Area | 60.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.06161 |
| Heavy Atoms | 17 |
| Complexity | 587.22314 |
Chemical Identifiers
| CAS Number | 338962-45-1 |
|---|---|
| SMILES | CCS(=O)(=O)CC1=CC(=NO1)C2=CC=CC=C2 |
Product Overview
5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole (CAS 338962-45-1), with molecular formula C12H13NO3S and molecular weight 251.06 g/mol. IUPAC: 5-(ethylsulfonylmethyl)-3-phenyl-1,2-oxazole.
Chemical Property Profile of 5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole
Property Insights of 5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole
The XLogP value of 2.2763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole. The TPSA of 60.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole. Following Lipinski's Rule of Five, 5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole 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
Frequently Asked Questions
What is the CAS number of 5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole?
The CAS number of 5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole is 338962-45-1.
What is the molecular formula of 5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole?
The molecular formula of 5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole is C12H13NO3S.
What is the molecular weight of 5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole?
The molecular weight of 5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole is 251.06 g/mol.
Where can I buy 5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole?
You can request a quote for 5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Ethylsulfonyl)methyl]-3-phenylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.