ethyl 4-(2-((5-(3,4-dimethylbenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
TL;DR: ethyl 4-(2-((5-(3,4-dimethylbenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate (CAS 392293-30-0) is a chemical compound with molecular formula C22H22N4O4S2 and molecular weight 470.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-[(3,4-dimethylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-(2-((5-(3,4-dimethylbenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate, Ethyl 4-[[2-[[5-[(3,4-dimethylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate, F0417-0297, ethyl 4-(2-{[5-(3,4-dimethylbenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoate
| Molecular Formula | C22H22N4O4S2 |
|---|---|
| Molecular Weight | 470.11 g/mol |
| LogP | 4.31474 |
| Topological Polar Surface Area | 110.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.10825 |
| Heavy Atoms | 32 |
| Complexity | 1129.2145 |
Chemical Identifiers
| CAS Number | 392293-30-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)C)C |
Product Overview
ethyl 4-(2-((5-(3,4-dimethylbenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate (CAS 392293-30-0), with molecular formula C22H22N4O4S2 and molecular weight 470.11 g/mol. IUPAC: ethyl 4-[[2-[[5-[(3,4-dimethylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-(2-((5-(3,4-dimethylbenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
Property Insights of ethyl 4-(2-((5-(3,4-dimethylbenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
The XLogP value of 4.31474 indicates that ethyl 4-(2-((5-(3,4-dimethylbenzamido)-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 ethyl 4-(2-((5-(3,4-dimethylbenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(2-((5-(3,4-dimethylbenzamido)-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 ethyl 4-(2-((5-(3,4-dimethylbenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
The CAS number of ethyl 4-(2-((5-(3,4-dimethylbenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is 392293-30-0.
What is the molecular formula of ethyl 4-(2-((5-(3,4-dimethylbenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
The molecular formula of ethyl 4-(2-((5-(3,4-dimethylbenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is C22H22N4O4S2.
What is the molecular weight of ethyl 4-(2-((5-(3,4-dimethylbenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
The molecular weight of ethyl 4-(2-((5-(3,4-dimethylbenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is 470.11 g/mol.
Where can I buy ethyl 4-(2-((5-(3,4-dimethylbenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
You can request a quote for ethyl 4-(2-((5-(3,4-dimethylbenzamido)-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-(3,4-dimethylbenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-((5-(3,4-dimethylbenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.