![N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide structure](/static/products/6932/693234-52-5.webp)
N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
TL;DR: N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CAS 693234-52-5) is a chemical compound with molecular formula C21H22N4O5S and molecular weight 442.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methyl-3-nitrophenyl)-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Also Known As: N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide, N-(4-methyl-3-nitrophenyl)-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
| Molecular Formula | C21H22N4O5S |
|---|---|
| Molecular Weight | 442.13 g/mol |
| LogP | 4.71942 |
| Topological Polar Surface Area | 120.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 442.1311 |
| Heavy Atoms | 31 |
| Complexity | 1065.887 |
Chemical Identifiers
| CAS Number | 693234-52-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(O2)COC3=CC=C(C=C3)C(C)C)[N+](=O)[O-] |
Product Overview
N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CAS 693234-52-5), with molecular formula C21H22N4O5S and molecular weight 442.13 g/mol. IUPAC: N-(4-methyl-3-nitrophenyl)-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
Property Insights of N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
The XLogP value of 4.71942 indicates that N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide 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 N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The CAS number of N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is 693234-52-5.
What is the molecular formula of N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The molecular formula of N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is C21H22N4O5S.
What is the molecular weight of N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The molecular weight of N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is 442.13 g/mol.
Where can I buy N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
You can request a quote for N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methyl-3-nitrophenyl)-2-[(5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.