Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate
TL;DR: Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate (CAS 866144-44-7) is a chemical compound with molecular formula C12H15NO4S and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate
Also Known As: Methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate, methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate, methyl 2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)benzoate, Methyl 2-(1,1-dioxidothiomorpholino)benzoate, methyl 2-(1,1-dioxo-1??-thiomorpholin-4-yl)benzoate
| Molecular Formula | C12H15NO4S |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 0.708 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.07217 |
| Heavy Atoms | 18 |
| Complexity | 538.95074 |
Chemical Identifiers
| CAS Number | 866144-44-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1N2CCS(=O)(=O)CC2 |
Product Overview
Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate (CAS 866144-44-7), with molecular formula C12H15NO4S and molecular weight 269.07 g/mol. IUPAC: methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate.
Chemical Property Profile of Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate
Property Insights of Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate
The XLogP value of 0.708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate. Following Lipinski's Rule of Five, Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate 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 Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate?
The CAS number of Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate is 866144-44-7.
What is the molecular formula of Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate?
The molecular formula of Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate is C12H15NO4S.
What is the molecular weight of Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate?
The molecular weight of Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate is 269.07 g/mol.
Where can I buy Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate?
You can request a quote for Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.