![1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone structure](/static/products/6944/694485-59-1.webp)
1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
TL;DR: 1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CAS 694485-59-1) is a chemical compound with molecular formula C17H13N3O4S and molecular weight 355.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
Also Known As: CBKinase1_004659, CBKinase1_017059, BRD-K39769177-001-01-5, 1-(4-methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone, 1-(4-methylphenyl)-2-{[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone
| Molecular Formula | C17H13N3O4S |
|---|---|
| Molecular Weight | 355.06 g/mol |
| LogP | 3.92822 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.06268 |
| Heavy Atoms | 25 |
| Complexity | 921.6522 |
Chemical Identifiers
| CAS Number | 694485-59-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CAS 694485-59-1), with molecular formula C17H13N3O4S and molecular weight 355.06 g/mol. IUPAC: 1-(4-methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
Property Insights of 1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
The XLogP value of 3.92822 indicates that 1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone 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 1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The CAS number of 1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is 694485-59-1.
What is the molecular formula of 1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The molecular formula of 1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is C17H13N3O4S.
What is the molecular weight of 1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The molecular weight of 1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is 355.06 g/mol.
Where can I buy 1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
You can request a quote for 1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.