Methyl 4-(2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate
TL;DR: Methyl 4-(2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate (CAS 332161-01-0) is a chemical compound with molecular formula C18H14ClN3O4S and molecular weight 403.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 01213246, methyl 4-(2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate, methyl 4-[({[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate, methyl 4-{2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-ylthio]acetylamino}benzoate, methyl4-(2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate
| Molecular Formula | C18H14ClN3O4S |
|---|---|
| Molecular Weight | 403.04 g/mol |
| LogP | 3.9074 |
| Topological Polar Surface Area | 94.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.03937 |
| Heavy Atoms | 27 |
| Complexity | 959.2504 |
Chemical Identifiers
| CAS Number | 332161-01-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3Cl |
Product Overview
Methyl 4-(2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate (CAS 332161-01-0), with molecular formula C18H14ClN3O4S and molecular weight 403.04 g/mol. IUPAC: methyl 4-[[2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-(2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate
Property Insights of Methyl 4-(2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate
The XLogP value of 3.9074 indicates that Methyl 4-(2-((5-(2-chlorophenyl)-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-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2-((5-(2-chlorophenyl)-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-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate?
The CAS number of Methyl 4-(2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate is 332161-01-0.
What is the molecular formula of Methyl 4-(2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate?
The molecular formula of Methyl 4-(2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate is C18H14ClN3O4S.
What is the molecular weight of Methyl 4-(2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate?
The molecular weight of Methyl 4-(2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate is 403.04 g/mol.
Where can I buy Methyl 4-(2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate?
You can request a quote for Methyl 4-(2-((5-(2-chlorophenyl)-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-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.