![Methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate structure](/static/products/6729/672950-62-8.webp)
Methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
TL;DR: Methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate (CAS 672950-62-8) is a chemical compound with molecular formula C19H16N2O3S and molecular weight 352.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
Also Known As: Bionet1_004609, methyl 4-[({5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]benzenecarboxylate, methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
| Molecular Formula | C19H16N2O3S |
|---|---|
| Molecular Weight | 352.09 g/mol |
| LogP | 4.3189 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.08817 |
| Heavy Atoms | 25 |
| Complexity | 857.89044 |
Chemical Identifiers
| CAS Number | 672950-62-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CSC2=NN=C(O2)C=CC3=CC=CC=C3 |
Product Overview
Methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate (CAS 672950-62-8), with molecular formula C19H16N2O3S and molecular weight 352.09 g/mol. IUPAC: methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate.
Chemical Property Profile of Methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
Property Insights of Methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
The XLogP value of 4.3189 indicates that Methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate has 0 hydrogen bond donor(s) and 6 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-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate?
The CAS number of Methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate is 672950-62-8.
What is the molecular formula of Methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate?
The molecular formula of Methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate is C19H16N2O3S.
What is the molecular weight of Methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate?
The molecular weight of Methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate is 352.09 g/mol.
Where can I buy Methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate?
You can request a quote for Methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]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-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.