ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
TL;DR: ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate (CAS 391874-54-7) is a chemical compound with molecular formula C24H20ClN5O5S2 and molecular weight 557.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate, F0470-0252, ethyl 4-[[2-[[5-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C24H20ClN5O5S2 |
|---|---|
| Molecular Weight | 557.06 g/mol |
| LogP | 5.31472 |
| Topological Polar Surface Area | 136.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 557.05945 |
| Heavy Atoms | 37 |
| Complexity | 1437.5697 |
Chemical Identifiers
| CAS Number | 391874-54-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C |
Product Overview
ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate (CAS 391874-54-7), with molecular formula C24H20ClN5O5S2 and molecular weight 557.06 g/mol. IUPAC: ethyl 4-[[2-[[5-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
Property Insights of ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
The XLogP value of 5.31472 indicates that ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-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 136.31 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
The CAS number of ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is 391874-54-7.
What is the molecular formula of ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
The molecular formula of ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is C24H20ClN5O5S2.
What is the molecular weight of ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
The molecular weight of ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is 557.06 g/mol.
Where can I buy ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
You can request a quote for ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-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 ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-((5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.