![methyl 4-({[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate structure](/static/products/6932/693241-02-0.webp)
methyl 4-({[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate
TL;DR: methyl 4-({[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate (CAS 693241-02-0) is a chemical compound with molecular formula C22H23N3O5S and molecular weight 441.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 4-({[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate, methyl 4-(2-((5-((4-isopropylphenoxy)methyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate, methyl 4-[[2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C22H23N3O5S |
|---|---|
| Molecular Weight | 441.14 g/mol |
| LogP | 4.2894 |
| Topological Polar Surface Area | 103.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 441.13583 |
| Heavy Atoms | 31 |
| Complexity | 1016.38544 |
Chemical Identifiers
| CAS Number | 693241-02-0 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-({[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate (CAS 693241-02-0), with molecular formula C22H23N3O5S and molecular weight 441.14 g/mol. IUPAC: methyl 4-[[2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-({[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate
Property Insights of methyl 4-({[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 4.2894 indicates that methyl 4-({[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.55 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-({[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate has 1 hydrogen bond donor(s) and 8 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-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate?
The CAS number of methyl 4-({[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate is 693241-02-0.
What is the molecular formula of methyl 4-({[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of methyl 4-({[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate is C22H23N3O5S.
What is the molecular weight of methyl 4-({[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of methyl 4-({[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate is 441.14 g/mol.
Where can I buy methyl 4-({[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for methyl 4-({[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)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-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.