methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate
TL;DR: methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate (CAS 477871-76-4) is a chemical compound with molecular formula C16H20N2O4S and molecular weight 336.11 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-(1H-indol-3-yl)propanoate
Also Known As: methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate, Methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate, methyl 2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-3-(1H-indol-3-yl)propanoate, Methyl 2-(1,1-dioxidothiomorpholino)-3-(1H-indol-3-yl)propanoate, methyl 2-(1,1-dioxo-1??-thiomorpholin-4-yl)-3-(1H-indol-3-yl)propanoate
| Molecular Formula | C16H20N2O4S |
|---|---|
| Molecular Weight | 336.11 g/mol |
| LogP | 0.9824 |
| Topological Polar Surface Area | 79.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.11438 |
| Heavy Atoms | 23 |
| Complexity | 798.3495 |
Chemical Identifiers
| CAS Number | 477871-76-4 |
|---|---|
| SMILES | COC(=O)C(CC1=CNC2=CC=CC=C21)N3CCS(=O)(=O)CC3 |
Product Overview
methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate (CAS 477871-76-4), with molecular formula C16H20N2O4S and molecular weight 336.11 g/mol. IUPAC: methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate
Property Insights of methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate
The XLogP value of 0.9824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate. The TPSA of 79.47 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate. Following Lipinski's Rule of Five, methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate has 1 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-(1H-indol-3-yl)propanoate?
The CAS number of methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate is 477871-76-4.
What is the molecular formula of methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate?
The molecular formula of methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate is C16H20N2O4S.
What is the molecular weight of methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate?
The molecular weight of methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate is 336.11 g/mol.
Where can I buy methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate?
You can request a quote for methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate 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-(1H-indol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.