Ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate
TL;DR: Ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate (CAS 148367-71-9) is a chemical compound with molecular formula C12H9ClN4O2S and molecular weight 308.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate
Also Known As: 1H-Indole-1-ethanol,5-bromo, ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate, Ethyl 4-(4-chlorophenyl)-5-cyanamide-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate, AI-067/31571043, I14-36222
| Molecular Formula | C12H9ClN4O2S |
|---|---|
| Molecular Weight | 308.01 g/mol |
| LogP | 2.14568 |
| Topological Polar Surface Area | 80.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.0135 |
| Heavy Atoms | 20 |
| Complexity | 727.151 |
Chemical Identifiers
| CAS Number | 148367-71-9 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=NC#N)S1)C2=CC=C(C=C2)Cl |
Product Overview
Ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate (CAS 148367-71-9), with molecular formula C12H9ClN4O2S and molecular weight 308.01 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate.
Chemical Property Profile of Ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate
Property Insights of Ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate
The XLogP value of 2.14568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate. The TPSA of 80.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate has 0 hydrogen bond donor(s) and 6 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 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
The CAS number of Ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate is 148367-71-9.
What is the molecular formula of Ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
The molecular formula of Ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate is C12H9ClN4O2S.
What is the molecular weight of Ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
The molecular weight of Ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate is 308.01 g/mol.
Where can I buy Ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
You can request a quote for Ethyl 4-(4-chlorophenyl)-5-cyanoimino-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 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.