diethyl 3-methyl-5-(3-morpholinothioureido)thiophene-2,4-dicarboxylate
TL;DR: diethyl 3-methyl-5-(3-morpholinothioureido)thiophene-2,4-dicarboxylate (CAS 706762-15-4) is a chemical compound with molecular formula C16H23N3O5S2 and molecular weight 401.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-(morpholin-4-ylcarbamothioylamino)thiophene-2,4-dicarboxylate
Also Known As: diethyl 3-methyl-5-(3-morpholinothioureido)thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-(morpholin-4-ylcarbamothioylamino)thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-[(morpholin-4-ylcarbamothioyl)amino]thiophene-2,4-dicarboxylate, ethyl 5-(ethoxycarbonyl)-4-methyl-2-{[(morpholin-4-ylamino)thioxomethyl]amino} thiophene-3-carboxylate
| Molecular Formula | C16H23N3O5S2 |
|---|---|
| Molecular Weight | 401.11 g/mol |
| LogP | 1.94352 |
| Topological Polar Surface Area | 89.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.1079 |
| Heavy Atoms | 26 |
| Complexity | 671.08765 |
Chemical Identifiers
| CAS Number | 706762-15-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NN2CCOCC2 |
Product Overview
diethyl 3-methyl-5-(3-morpholinothioureido)thiophene-2,4-dicarboxylate (CAS 706762-15-4), with molecular formula C16H23N3O5S2 and molecular weight 401.11 g/mol. IUPAC: diethyl 3-methyl-5-(morpholin-4-ylcarbamothioylamino)thiophene-2,4-dicarboxylate.
Chemical Property Profile of diethyl 3-methyl-5-(3-morpholinothioureido)thiophene-2,4-dicarboxylate
Property Insights of diethyl 3-methyl-5-(3-morpholinothioureido)thiophene-2,4-dicarboxylate
The XLogP value of 1.94352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 3-methyl-5-(3-morpholinothioureido)thiophene-2,4-dicarboxylate. The TPSA of 89.13 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 3-methyl-5-(3-morpholinothioureido)thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 3-methyl-5-(3-morpholinothioureido)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-(3-morpholinothioureido)thiophene-2,4-dicarboxylate?
The CAS number of diethyl 3-methyl-5-(3-morpholinothioureido)thiophene-2,4-dicarboxylate is 706762-15-4.
What is the molecular formula of diethyl 3-methyl-5-(3-morpholinothioureido)thiophene-2,4-dicarboxylate?
The molecular formula of diethyl 3-methyl-5-(3-morpholinothioureido)thiophene-2,4-dicarboxylate is C16H23N3O5S2.
What is the molecular weight of diethyl 3-methyl-5-(3-morpholinothioureido)thiophene-2,4-dicarboxylate?
The molecular weight of diethyl 3-methyl-5-(3-morpholinothioureido)thiophene-2,4-dicarboxylate is 401.11 g/mol.
Where can I buy diethyl 3-methyl-5-(3-morpholinothioureido)thiophene-2,4-dicarboxylate?
You can request a quote for diethyl 3-methyl-5-(3-morpholinothioureido)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-(3-morpholinothioureido)thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 3-methyl-5-(3-morpholinothioureido)thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.