dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate
TL;DR: dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate (CAS 126573-70-4) is a chemical compound with molecular formula C23H22N4O6S and molecular weight 482.126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-benzamido-3-[(2-benzamido-3-methoxy-3-oxoprop-1-enyl)carbamothioylamino]prop-2-enoate
Also Known As: dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate, Methyl 2-benzamido-3-[(2-benzamido-2-methoxycarbonyl-ethenyl)thiocarbamoylamino]prop-2-enoate, methyl 2-benzamido-3-[(2-benzamido-3-methoxy-3-oxoprop-1-enyl)carbamothioylamino]prop-2-enoate
Technical Specifications
| Molecular Formula | C23H22N4O6S |
| Molecular Weight | 482.126 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 167.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 482.126 Da |
| Heavy Atoms | 34 |
| Complexity | 763.0 |
| SMILES | COC(=O)C(=CNC(=S)NC=C(C(=O)OC)NC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2 |
| InChIKey | OPLWMJJYNDFXJP-UHFFFAOYSA-N |
Chemical Property Profile of dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate
Property Insights of dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate
The XLogP value of 3.1 indicates that dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate?
The CAS number of dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate is 126573-70-4.
What is the molecular formula of dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate?
The molecular formula of dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate is C23H22N4O6S.
What is the molecular weight of dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate?
The molecular weight of dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate is 482.126 g/mol.
Where can I buy dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate?
You can request a quote for dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.