(3S,5R)-2,2,5-Trimethylthiomorpholine-3-carboxylic acid 1-oxide
TL;DR: (3S,5R)-2,2,5-Trimethylthiomorpholine-3-carboxylic acid 1-oxide (CAS 83573-53-9) is a chemical compound with molecular formula C8H15NO3S and molecular weight 205.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R)-2,2,5-trimethyl-1-oxo-1,4-thiazinane-3-carboxylic acid
Also Known As: Tizabrin, tizabrina, tizabrine, Tizabrin [INN], (3S,5R)-2,2,5-trimethyl-1-oxo-1
| Molecular Formula | C8H15NO3S |
|---|---|
| Molecular Weight | 205.08 g/mol |
| LogP | -0.0414 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.07727 |
| Heavy Atoms | 13 |
| Complexity | 251.7737 |
Chemical Identifiers
| CAS Number | 83573-53-9 |
|---|---|
| SMILES | C[C@@H]1CS(=O)C([C@@H](N1)C(=O)O)(C)C |
Product Overview
(3S,5R)-2,2,5-Trimethylthiomorpholine-3-carboxylic acid 1-oxide (CAS 83573-53-9), with molecular formula C8H15NO3S and molecular weight 205.08 g/mol. IUPAC: (3S,5R)-2,2,5-trimethyl-1-oxo-1,4-thiazinane-3-carboxylic acid.
Chemical Property Profile of (3S,5R)-2,2,5-Trimethylthiomorpholine-3-carboxylic acid 1-oxide
Property Insights of (3S,5R)-2,2,5-Trimethylthiomorpholine-3-carboxylic acid 1-oxide
The XLogP value of -0.0414 indicates that (3S,5R)-2,2,5-Trimethylthiomorpholine-3-carboxylic acid 1-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,5R)-2,2,5-Trimethylthiomorpholine-3-carboxylic acid 1-oxide. Following Lipinski's Rule of Five, (3S,5R)-2,2,5-Trimethylthiomorpholine-3-carboxylic acid 1-oxide has 2 hydrogen bond donor(s) and 3 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 (3S,5R)-2,2,5-Trimethylthiomorpholine-3-carboxylic acid 1-oxide?
The CAS number of (3S,5R)-2,2,5-Trimethylthiomorpholine-3-carboxylic acid 1-oxide is 83573-53-9.
What is the molecular formula of (3S,5R)-2,2,5-Trimethylthiomorpholine-3-carboxylic acid 1-oxide?
The molecular formula of (3S,5R)-2,2,5-Trimethylthiomorpholine-3-carboxylic acid 1-oxide is C8H15NO3S.
What is the molecular weight of (3S,5R)-2,2,5-Trimethylthiomorpholine-3-carboxylic acid 1-oxide?
The molecular weight of (3S,5R)-2,2,5-Trimethylthiomorpholine-3-carboxylic acid 1-oxide is 205.08 g/mol.
Where can I buy (3S,5R)-2,2,5-Trimethylthiomorpholine-3-carboxylic acid 1-oxide?
You can request a quote for (3S,5R)-2,2,5-Trimethylthiomorpholine-3-carboxylic acid 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,5R)-2,2,5-Trimethylthiomorpholine-3-carboxylic acid 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for (3S,5R)-2,2,5-Trimethylthiomorpholine-3-carboxylic acid 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.