Ethyl 4-(4-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)benzoate
TL;DR: Ethyl 4-(4-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)benzoate (CAS 714935-58-7) is a chemical compound with molecular formula C18H22N4O4S and molecular weight 390.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-oxo-4-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butanoyl]amino]benzoate
Also Known As: ethyl 4-(4-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)benzoate, ethyl 4-[[4-oxo-4-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butanoyl]amino]benzoate, ethyl 4-[(4-oxo-4-{[(2E)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]amino}butanoyl)amino]benzoate
| Molecular Formula | C18H22N4O4S |
|---|---|
| Molecular Weight | 390.14 g/mol |
| LogP | 3.0247 |
| Topological Polar Surface Area | 110.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 390.13617 |
| Heavy Atoms | 27 |
| Complexity | 788.91425 |
Chemical Identifiers
| CAS Number | 714935-58-7 |
|---|---|
| SMILES | CCCC1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)OCC |
Product Overview
Ethyl 4-(4-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)benzoate (CAS 714935-58-7), with molecular formula C18H22N4O4S and molecular weight 390.14 g/mol. IUPAC: ethyl 4-[[4-oxo-4-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butanoyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-(4-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)benzoate
Property Insights of Ethyl 4-(4-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)benzoate
The XLogP value of 3.0247 indicates that Ethyl 4-(4-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(4-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)benzoate has 2 hydrogen bond donor(s) and 7 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-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)benzoate?
The CAS number of Ethyl 4-(4-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)benzoate is 714935-58-7.
What is the molecular formula of Ethyl 4-(4-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)benzoate?
The molecular formula of Ethyl 4-(4-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)benzoate is C18H22N4O4S.
What is the molecular weight of Ethyl 4-(4-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)benzoate?
The molecular weight of Ethyl 4-(4-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)benzoate is 390.14 g/mol.
Where can I buy Ethyl 4-(4-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)benzoate?
You can request a quote for Ethyl 4-(4-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)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-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.