Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoate
TL;DR: Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoate (CAS 478040-49-2) is a chemical compound with molecular formula C14H19NO4S and molecular weight 297.10 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)-3-phenylpropanoate
Also Known As: methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoate, methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanoate, methyl 2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-3-phenylpropanoate, Methyl 2-(1,1-dioxidothiomorpholino)-3-phenylpropanoate, Methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenyl-propanoate
| Molecular Formula | C14H19NO4S |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 0.5011 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.1035 |
| Heavy Atoms | 20 |
| Complexity | 541.79645 |
Chemical Identifiers
| CAS Number | 478040-49-2 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=CC=C1)N2CCS(=O)(=O)CC2 |
Product Overview
Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoate (CAS 478040-49-2), with molecular formula C14H19NO4S and molecular weight 297.10 g/mol. IUPAC: methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanoate.
Chemical Property Profile of Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoate
Property Insights of Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoate
The XLogP value of 0.5011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoate. 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)-3-phenylpropanoate. Following Lipinski's Rule of Five, Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoate 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)-3-phenylpropanoate?
The CAS number of Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoate is 478040-49-2.
What is the molecular formula of Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoate?
The molecular formula of Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoate is C14H19NO4S.
What is the molecular weight of Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoate?
The molecular weight of Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoate is 297.10 g/mol.
Where can I buy Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoate?
You can request a quote for Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoate 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)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.