![Methyl 4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate structure](/static/products/5011/501111-50-8.webp)
Methyl 4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate
TL;DR: Methyl 4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate (CAS 501111-50-8) is a chemical compound with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
Also Known As: F1344-0025, methyl 4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate, methyl 4-(((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)methyl)benzoate, methyl 4-({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoate
| Molecular Formula | C18H16N2O4S |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 3.8241 |
| Topological Polar Surface Area | 74.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.08307 |
| Heavy Atoms | 25 |
| Complexity | 844.27246 |
Chemical Identifiers
| CAS Number | 501111-50-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)OC |
Product Overview
Methyl 4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate (CAS 501111-50-8), with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol. IUPAC: methyl 4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate.
Chemical Property Profile of Methyl 4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate
Property Insights of Methyl 4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate
The XLogP value of 3.8241 indicates that Methyl 4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate has 0 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-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate?
The CAS number of Methyl 4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate is 501111-50-8.
What is the molecular formula of Methyl 4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate?
The molecular formula of Methyl 4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate is C18H16N2O4S.
What is the molecular weight of Methyl 4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate?
The molecular weight of Methyl 4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate is 356.08 g/mol.
Where can I buy Methyl 4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate?
You can request a quote for Methyl 4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}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-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.