3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one
TL;DR: 3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one (CAS 13344-00-8) is a chemical compound with molecular formula C14H19NO5S and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5R)-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
Also Known As: Itsomo, KST-1A1129, 3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one, [(5R)-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate, [(5r)-2-oxo-3-(propan-2-yl)-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
| Molecular Formula | C14H19NO5S |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.0984 |
| Heavy Atoms | 21 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 13344-00-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2CN(C(=O)O2)C(C)C |
| InChIKey | VSBCXARDKFKTHY-GFCCVEGCSA-N |
Product Overview
3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one (CAS 13344-00-8), with molecular formula C14H19NO5S and molecular weight 313.10 g/mol. IUPAC: [(5R)-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate.
Chemical Property Profile of 3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one
Property Insights of 3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one. Following Lipinski's Rule of Five, 3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one has 0 hydrogen bond donor(s) and 5 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-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one?
The CAS number of 3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one is 13344-00-8.
What is the molecular formula of 3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one?
The molecular formula of 3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one is C14H19NO5S.
What is the molecular weight of 3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one?
The molecular weight of 3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one is 313.10 g/mol.
Where can I buy 3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one?
You can request a quote for 3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.