Ethyl 4-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate
TL;DR: Ethyl 4-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate (CAS 148367-89-9) is a chemical compound with molecular formula C13H11ClN4O2S and molecular weight 322.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate
Also Known As: ethyl 4-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate, Ethyl 4-(3-Chloro-4-methylphenyl)-5-cyanamide-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate, ethyl 4-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadia, Ethyl 4-(3-Chloro-4-methylphenyl)-5-cyanimino-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate, Ethyl (5Z)-4-(3-chloro-4-methylphenyl)-5-(cyanoimino)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
| Molecular Formula | C13H11ClN4O2S |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 2.4541 |
| Topological Polar Surface Area | 80.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.0291 |
| Heavy Atoms | 21 |
| Complexity | 788.19946 |
Chemical Identifiers
| CAS Number | 148367-89-9 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=NC#N)S1)C2=CC(=C(C=C2)C)Cl |
Product Overview
Ethyl 4-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate (CAS 148367-89-9), with molecular formula C13H11ClN4O2S and molecular weight 322.03 g/mol. IUPAC: ethyl 4-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate.
Chemical Property Profile of Ethyl 4-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate
Property Insights of Ethyl 4-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate
The XLogP value of 2.4541 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
The CAS number of Ethyl 4-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate is 148367-89-9.
What is the molecular formula of Ethyl 4-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
The molecular formula of Ethyl 4-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate is C13H11ClN4O2S.
What is the molecular weight of Ethyl 4-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
The molecular weight of Ethyl 4-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate is 322.03 g/mol.
Where can I buy Ethyl 4-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
You can request a quote for Ethyl 4-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.