2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid
TL;DR: 2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid (CAS 477858-29-0) is a chemical compound with molecular formula C9H17NO4S and molecular weight 235.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoic acid
Also Known As: 2-(1,1-Dioxidothiomorpholino)-3-methylbutanoic acid, 2-(1,1-Dioxidothiomorpholin-4-yl)-3-methylbutanoic acid, 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid, dioxolambdathiazinanylmethylbutanoicacid, 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoic acid
| Molecular Formula | C9H17NO4S |
|---|---|
| Molecular Weight | 235.09 g/mol |
| LogP | -0.174 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.08783 |
| Heavy Atoms | 15 |
| Complexity | 322.0215 |
Chemical Identifiers
| CAS Number | 477858-29-0 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1CCS(=O)(=O)CC1 |
Product Overview
2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid (CAS 477858-29-0), with molecular formula C9H17NO4S and molecular weight 235.09 g/mol. IUPAC: 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoic acid.
Chemical Property Profile of 2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid
Property Insights of 2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid
The XLogP value of -0.174 indicates that 2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid has 1 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-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid?
The CAS number of 2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid is 477858-29-0.
What is the molecular formula of 2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid?
The molecular formula of 2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid is C9H17NO4S.
What is the molecular weight of 2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid?
The molecular weight of 2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid is 235.09 g/mol.
Where can I buy 2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid?
You can request a quote for 2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.