2-Methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine
TL;DR: 2-Methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine (CAS 108817-77-2) is a chemical compound with molecular formula C17H17NO3S and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-2-methyl-5-methylidene-3-phenyl-1,2-oxazolidine
Also Known As: 2-methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine, AE-477/13519072, 4-(benzenesulfonyl)-2-methyl-5-methylidene-3-phenyl-1,2-oxazolidine, 2-methyl-5-methylidene-3-phenyl-4-(phenylsulfonyl)-1,2-oxazolidine, (3R,4R)-4-Benzenesulfonyl-2-methyl-5-methylene-3-phenyl-isoxazolidine
| Molecular Formula | C17H17NO3S |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.09293 |
| Heavy Atoms | 22 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 108817-77-2 |
|---|---|
| SMILES | CN1C(C(C(=C)O1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | XZVLHDTTZUNIOF-UHFFFAOYSA-N |
Product Overview
2-Methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine (CAS 108817-77-2), with molecular formula C17H17NO3S and molecular weight 315.09 g/mol. IUPAC: 4-(benzenesulfonyl)-2-methyl-5-methylidene-3-phenyl-1,2-oxazolidine.
Chemical Property Profile of 2-Methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine
Property Insights of 2-Methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine
The XLogP value of 3.1 indicates that 2-Methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.0 Ų, 2-Methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine 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 2-Methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine?
The CAS number of 2-Methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine is 108817-77-2.
What is the molecular formula of 2-Methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine?
The molecular formula of 2-Methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine is C17H17NO3S.
What is the molecular weight of 2-Methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine?
The molecular weight of 2-Methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine is 315.09 g/mol.
Where can I buy 2-Methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine?
You can request a quote for 2-Methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)isoxazolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.