![N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide structure](/static/products/941/941948-80-7.png)
N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide
TL;DR: N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide (CAS 941948-80-7) is a chemical compound with molecular formula C18H16N4O4S and molecular weight 384.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide
Also Known As: F1885-0852, N-{[5-(benzylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-2-methyl-3-nitrobenzamide, N-((5-(benzylthio)-1,3,4-oxadiazol-2-yl)methyl)-2-methyl-3-nitrobenzamide, N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide
| Molecular Formula | C18H16N4O4S |
|---|---|
| Molecular Weight | 384.09 g/mol |
| LogP | 3.50852 |
| Topological Polar Surface Area | 111.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.08923 |
| Heavy Atoms | 27 |
| Complexity | 959.0053 |
Chemical Identifiers
| CAS Number | 941948-80-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(O2)SCC3=CC=CC=C3 |
Product Overview
N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide (CAS 941948-80-7), with molecular formula C18H16N4O4S and molecular weight 384.09 g/mol. IUPAC: N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide.
Chemical Property Profile of N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide
Property Insights of N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide
The XLogP value of 3.50852 indicates that N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide 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 N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide?
The CAS number of N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide is 941948-80-7.
What is the molecular formula of N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide?
The molecular formula of N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide is C18H16N4O4S.
What is the molecular weight of N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide?
The molecular weight of N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide is 384.09 g/mol.
Where can I buy N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide?
You can request a quote for N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.