ethyl 4-(2-((5-(4-(morpholinosulfonyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
TL;DR: ethyl 4-(2-((5-(4-(morpholinosulfonyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate (CAS 392293-42-4) is a chemical compound with molecular formula C24H25N5O7S3 and molecular weight 591.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-(2-((5-(4-(morpholinosulfonyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate, ethyl 4-[2-({5-[4-(morpholine-4-sulfonyl)benzamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamido]benzoate, ethyl 4-[[2-[[5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C24H25N5O7S3 |
|---|---|
| Molecular Weight | 591.09 g/mol |
| LogP | 2.7188 |
| Topological Polar Surface Area | 156.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 591.0916 |
| Heavy Atoms | 39 |
| Complexity | 1421.0504 |
Chemical Identifiers
| CAS Number | 392293-42-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 |
Product Overview
ethyl 4-(2-((5-(4-(morpholinosulfonyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate (CAS 392293-42-4), with molecular formula C24H25N5O7S3 and molecular weight 591.09 g/mol. IUPAC: ethyl 4-[[2-[[5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-(2-((5-(4-(morpholinosulfonyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
Property Insights of ethyl 4-(2-((5-(4-(morpholinosulfonyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
The XLogP value of 2.7188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(2-((5-(4-(morpholinosulfonyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate. The TPSA of 156.89 Ų indicates high polarity, suggesting ethyl 4-(2-((5-(4-(morpholinosulfonyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 4-(2-((5-(4-(morpholinosulfonyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate has 2 hydrogen bond donor(s) and 11 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-(4-(morpholinosulfonyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
The CAS number of ethyl 4-(2-((5-(4-(morpholinosulfonyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is 392293-42-4.
What is the molecular formula of ethyl 4-(2-((5-(4-(morpholinosulfonyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
The molecular formula of ethyl 4-(2-((5-(4-(morpholinosulfonyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is C24H25N5O7S3.
What is the molecular weight of ethyl 4-(2-((5-(4-(morpholinosulfonyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
The molecular weight of ethyl 4-(2-((5-(4-(morpholinosulfonyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is 591.09 g/mol.
Where can I buy ethyl 4-(2-((5-(4-(morpholinosulfonyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
You can request a quote for ethyl 4-(2-((5-(4-(morpholinosulfonyl)benzamido)-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-(4-(morpholinosulfonyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-((5-(4-(morpholinosulfonyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.