![diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate structure](/static/products/7741/774193-13-4.webp)
diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate
TL;DR: diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate (CAS 774193-13-4) is a chemical compound with molecular formula C22H25N5O6S2 and molecular weight 519.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamothioylamino]thiophene-2,4-dicarboxylate
Also Known As: diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-(3-(7-morpholinobenzo[c][1,2,5]oxadiazol-4-yl)thioureido)thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamothioylamino]thiophene-2,4-dicarboxylate, ethyl 5-(ethoxycarbonyl)-4-methyl-2-({[(7-morpholin-4-ylbenzo[2,3-c]1,2,5-oxad iazol-4-yl)amino]thioxomethyl}amino)thiophene-3-carboxylate
| Molecular Formula | C22H25N5O6S2 |
|---|---|
| Molecular Weight | 519.12 g/mol |
| LogP | 3.59162 |
| Topological Polar Surface Area | 128.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.12463 |
| Heavy Atoms | 35 |
| Complexity | 1250.6663 |
Chemical Identifiers
| CAS Number | 774193-13-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C3=NON=C23)N4CCOCC4 |
Product Overview
diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate (CAS 774193-13-4), with molecular formula C22H25N5O6S2 and molecular weight 519.12 g/mol. IUPAC: diethyl 3-methyl-5-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamothioylamino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate
Property Insights of diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate
The XLogP value of 3.59162 indicates that diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.05 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate?
The CAS number of diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate is 774193-13-4.
What is the molecular formula of diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate?
The molecular formula of diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate is C22H25N5O6S2.
What is the molecular weight of diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate?
The molecular weight of diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate is 519.12 g/mol.
Where can I buy diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate?
You can request a quote for diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-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-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 3-methyl-5-({[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamothioyl}amino)thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.