Methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate
TL;DR: Methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate (CAS 692775-13-6) is a chemical compound with molecular formula C19H17N3O4S and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 4-({[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate, methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate, methyl 4-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate, METHYL 4-{2-[(5-BENZYL-1,3,4-OXADIAZOL-2-YL)SULFANYL]ACETAMIDO}BENZOATE
| Molecular Formula | C19H17N3O4S |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 3.1778 |
| Topological Polar Surface Area | 94.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.09396 |
| Heavy Atoms | 27 |
| Complexity | 910.21893 |
Chemical Identifiers
| CAS Number | 692775-13-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3 |
Product Overview
Methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate (CAS 692775-13-6), with molecular formula C19H17N3O4S and molecular weight 383.09 g/mol. IUPAC: methyl 4-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate
Property Insights of Methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate
The XLogP value of 3.1778 indicates that Methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate has 1 hydrogen bond donor(s) and 7 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 Methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate?
The CAS number of Methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate is 692775-13-6.
What is the molecular formula of Methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate?
The molecular formula of Methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate is C19H17N3O4S.
What is the molecular weight of Methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate?
The molecular weight of Methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate is 383.09 g/mol.
Where can I buy Methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate?
You can request a quote for Methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-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 Methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.