Dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide
TL;DR: Dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide (CAS 202118-63-6) is a chemical compound with molecular formula C20H21NO6S and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1,1-dioxo-3,5-diphenyl-1,4-thiazinane-2,6-dicarboxylate
Also Known As: Maybridge4_000406, dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide, IDI1_030988, 2,6-dimethyl 1,1-dioxo-3,5-diphenyl-1, dimethyl 1,1-dioxo-3,5-diphenyl-1,4-thiazinane-2,6-dicarboxylate
| Molecular Formula | C20H21NO6S |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 1.5702 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.10895 |
| Heavy Atoms | 28 |
| Complexity | 873.6759 |
Chemical Identifiers
| CAS Number | 202118-63-6 |
|---|---|
| SMILES | COC(=O)C1C(NC(C(S1(=O)=O)C(=O)OC)C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
Dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide (CAS 202118-63-6), with molecular formula C20H21NO6S and molecular weight 403.11 g/mol. IUPAC: dimethyl 1,1-dioxo-3,5-diphenyl-1,4-thiazinane-2,6-dicarboxylate.
Chemical Property Profile of Dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide
Property Insights of Dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide
The XLogP value of 1.5702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide. Following Lipinski's Rule of Five, Dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide has 1 hydrogen bond donor(s) and 7 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 Dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide?
The CAS number of Dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide is 202118-63-6.
What is the molecular formula of Dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide?
The molecular formula of Dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide is C20H21NO6S.
What is the molecular weight of Dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide?
The molecular weight of Dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide is 403.11 g/mol.
Where can I buy Dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide?
You can request a quote for Dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3,5-diphenylthiomorpholine-2,6-dicarboxylate 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.