Ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate
TL;DR: Ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate (CAS 444791-17-7) is a chemical compound with molecular formula C12H11N5O4S2 and molecular weight 353.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate
Also Known As: ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate, AI-067/31571048, 1,2,4-Thiadiazole,5,5'-[methylenebis(thio)]bis[3-(methylthio)-(9CI), 1,3,4-Thiadiazole-2-carboxylic acid, 4-[4-(aminosulfonyl)phenyl]-5-(cyanoimino)-4,5-dihydro-, ethyl ester, 1,3,4-Thiadiazole-2-carboxylicacid, 4-[4-(aminosulfonyl)phenyl]-5-(cyanoimino)-4,5-dihydro-, ethyl ester(9CI)
| Molecular Formula | C12H11N5O4S2 |
|---|---|
| Molecular Weight | 353.03 g/mol |
| LogP | 0.13968 |
| Topological Polar Surface Area | 140.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.02524 |
| Heavy Atoms | 23 |
| Complexity | 935.06604 |
Chemical Identifiers
| CAS Number | 444791-17-7 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=NC#N)S1)C2=CC=C(C=C2)S(=O)(=O)N |
Product Overview
Ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate (CAS 444791-17-7), with molecular formula C12H11N5O4S2 and molecular weight 353.03 g/mol. IUPAC: ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate.
Chemical Property Profile of Ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate
Property Insights of Ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate
The XLogP value of 0.13968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate. The TPSA of 140.43 Ų indicates high polarity, suggesting Ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate has 1 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 Ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate?
The CAS number of Ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate is 444791-17-7.
What is the molecular formula of Ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate?
The molecular formula of Ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate is C12H11N5O4S2.
What is the molecular weight of Ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate?
The molecular weight of Ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate is 353.03 g/mol.
Where can I buy Ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate?
You can request a quote for Ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyanoimino-4-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.