ethyl 4-(2-((5-(2,5-dichlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
TL;DR: ethyl 4-(2-((5-(2,5-dichlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate (CAS 389072-89-3) is a chemical compound with molecular formula C20H16Cl2N4O4S2 and molecular weight 510.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-[(2,5-dichlorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-(2-((5-(2,5-dichlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate, Ethyl 4-[[2-[[5-[(2,5-dichlorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate, F0509-2587, ethyl 4-(2-{[5-(2,5-dichlorobenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoate
| Molecular Formula | C20H16Cl2N4O4S2 |
|---|---|
| Molecular Weight | 510.00 g/mol |
| LogP | 5.0047 |
| Topological Polar Surface Area | 110.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 509.999 |
| Heavy Atoms | 32 |
| Complexity | 1138.8834 |
Chemical Identifiers
| CAS Number | 389072-89-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=C(C=CC(=C3)Cl)Cl |
Product Overview
ethyl 4-(2-((5-(2,5-dichlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate (CAS 389072-89-3), with molecular formula C20H16Cl2N4O4S2 and molecular weight 510.00 g/mol. IUPAC: ethyl 4-[[2-[[5-[(2,5-dichlorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-(2-((5-(2,5-dichlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
Property Insights of ethyl 4-(2-((5-(2,5-dichlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
The XLogP value of 5.0047 indicates that ethyl 4-(2-((5-(2,5-dichlorobenzamido)-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-(2,5-dichlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(2-((5-(2,5-dichlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate has 2 hydrogen bond donor(s) and 8 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-(2,5-dichlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
The CAS number of ethyl 4-(2-((5-(2,5-dichlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is 389072-89-3.
What is the molecular formula of ethyl 4-(2-((5-(2,5-dichlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
The molecular formula of ethyl 4-(2-((5-(2,5-dichlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is C20H16Cl2N4O4S2.
What is the molecular weight of ethyl 4-(2-((5-(2,5-dichlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
The molecular weight of ethyl 4-(2-((5-(2,5-dichlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is 510.00 g/mol.
Where can I buy ethyl 4-(2-((5-(2,5-dichlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
You can request a quote for ethyl 4-(2-((5-(2,5-dichlorobenzamido)-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-(2,5-dichlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-((5-(2,5-dichlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.