Ethyl 4-(4-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate
TL;DR: Ethyl 4-(4-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate (CAS 899975-79-2) is a chemical compound with molecular formula C14H15N3O3S and molecular weight 305.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate
Also Known As: ethyl 4-(4-ethyl-1,2,3-thiadiazole-5-amido)benzoate, VU0499298-1, ethyl 4-(4-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate, F2793-0174, ethyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate
| Molecular Formula | C14H15N3O3S |
|---|---|
| Molecular Weight | 305.08 g/mol |
| LogP | 2.5295 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.0834 |
| Heavy Atoms | 21 |
| Complexity | 637.1687 |
Chemical Identifiers
| CAS Number | 899975-79-2 |
|---|---|
| SMILES | CCC1=C(SN=N1)C(=O)NC2=CC=C(C=C2)C(=O)OCC |
Product Overview
Ethyl 4-(4-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate (CAS 899975-79-2), with molecular formula C14H15N3O3S and molecular weight 305.08 g/mol. IUPAC: ethyl 4-[(4-ethylthiadiazole-5-carbonyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-(4-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate
Property Insights of Ethyl 4-(4-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate
The XLogP value of 2.5295 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(4-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(4-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate has 1 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-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate?
The CAS number of Ethyl 4-(4-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate is 899975-79-2.
What is the molecular formula of Ethyl 4-(4-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate?
The molecular formula of Ethyl 4-(4-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate is C14H15N3O3S.
What is the molecular weight of Ethyl 4-(4-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate?
The molecular weight of Ethyl 4-(4-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate is 305.08 g/mol.
Where can I buy Ethyl 4-(4-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate?
You can request a quote for Ethyl 4-(4-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate 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-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-ethyl-1,2,3-thiadiazole-5-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.