Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate
TL;DR: Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate (CAS 451485-76-0) 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 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate
Also Known As: Methyl 4-(1,1-Dioxothiomorpholino)benzoate, Methyl 4-(1,1-dioxidothiomorpholino)benzoate, Phthalimideacetylchloride, methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate, Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-benzenecarboxylate
| 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 | 521.70074 |
Chemical Identifiers
| CAS Number | 451485-76-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2CCS(=O)(=O)CC2 |
Product Overview
Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate (CAS 451485-76-0), with molecular formula C12H15NO4S and molecular weight 269.07 g/mol. IUPAC: methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate.
Chemical Property Profile of Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate
Property Insights of Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate
The XLogP value of 0.708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate 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 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate?
The CAS number of Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate is 451485-76-0.
What is the molecular formula of Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate?
The molecular formula of Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate is C12H15NO4S.
What is the molecular weight of Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate?
The molecular weight of Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate is 269.07 g/mol.
Where can I buy Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate?
You can request a quote for Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.