(E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
TL;DR: (E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate (CAS 392293-05-9) is a chemical compound with molecular formula C22H20N4O4S2 and molecular weight 468.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: F0417-0264, ethyl 4-[2-({5-[(2E)-3-phenylprop-2-enamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamido]benzoate, (E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate, ethyl 4-[[2-[[5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate, Ethyl 4-[[2-[[5-(3-phenylprop-2-enoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C22H20N4O4S2 |
|---|---|
| Molecular Weight | 468.09 g/mol |
| LogP | 4.0975 |
| Topological Polar Surface Area | 110.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 468.0926 |
| Heavy Atoms | 32 |
| Complexity | 1098.6333 |
Chemical Identifiers
| CAS Number | 392293-05-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)/C=C/C3=CC=CC=C3 |
Product Overview
(E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate (CAS 392293-05-9), with molecular formula C22H20N4O4S2 and molecular weight 468.09 g/mol. IUPAC: ethyl 4-[[2-[[5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of (E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
Property Insights of (E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
The XLogP value of 4.0975 indicates that (E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)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 (E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, (E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate has 2 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 (E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
The CAS number of (E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is 392293-05-9.
What is the molecular formula of (E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
The molecular formula of (E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is C22H20N4O4S2.
What is the molecular weight of (E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
The molecular weight of (E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is 468.09 g/mol.
Where can I buy (E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
You can request a quote for (E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.