![diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate structure](/static/products/7019/701942-01-0.webp)
diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate
TL;DR: diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate (CAS 701942-01-0) is a chemical compound with molecular formula C20H25N3O4S3 and molecular weight 467.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate
Also Known As: diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-(3-(6-methyl-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)thioureido)thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate, ethyl 5-(ethoxycarbonyl)-4-methyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazo l-2-yl))amino]thioxomethyl}amino)thiophene-3-carboxylate
| Molecular Formula | C20H25N3O4S3 |
|---|---|
| Molecular Weight | 467.10 g/mol |
| LogP | 4.80012 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.1007 |
| Heavy Atoms | 30 |
| Complexity | 966.89825 |
Chemical Identifiers
| CAS Number | 701942-01-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NC3=C(S2)CC(CC3)C |
Product Overview
diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate (CAS 701942-01-0), with molecular formula C20H25N3O4S3 and molecular weight 467.10 g/mol. IUPAC: diethyl 3-methyl-5-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate
Property Insights of diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate
The XLogP value of 4.80012 indicates that diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.55 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate has 2 hydrogen bond donor(s) and 8 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 diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate?
The CAS number of diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate is 701942-01-0.
What is the molecular formula of diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate?
The molecular formula of diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate is C20H25N3O4S3.
What is the molecular weight of diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate?
The molecular weight of diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate is 467.10 g/mol.
Where can I buy diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate?
You can request a quote for diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 3-methyl-5-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.