4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide
TL;DR: 4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide (CAS 391875-76-6) is a chemical compound with molecular formula C12H12N4O5S2 and molecular weight 356.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxy-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide
Also Known As: 4,5-dimethoxy-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide, F0470-0435, 4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide, 4,5-dimethoxy-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide, 4,5-dimethoxy-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-nitro-benzamide
| Molecular Formula | C12H12N4O5S2 |
|---|---|
| Molecular Weight | 356.02 g/mol |
| LogP | 2.4377 |
| Topological Polar Surface Area | 116.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.0249 |
| Heavy Atoms | 23 |
| Complexity | 749.0474 |
Chemical Identifiers
| CAS Number | 391875-76-6 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)SC)[N+](=O)[O-])OC |
Product Overview
4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide (CAS 391875-76-6), with molecular formula C12H12N4O5S2 and molecular weight 356.02 g/mol. IUPAC: 4,5-dimethoxy-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide.
Chemical Property Profile of 4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide
Property Insights of 4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide
The XLogP value of 2.4377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide. The TPSA of 116.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide. Following Lipinski's Rule of Five, 4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide has 1 hydrogen bond donor(s) and 9 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 4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide?
The CAS number of 4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide is 391875-76-6.
What is the molecular formula of 4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide?
The molecular formula of 4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide is C12H12N4O5S2.
What is the molecular weight of 4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide?
The molecular weight of 4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide is 356.02 g/mol.
Where can I buy 4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide?
You can request a quote for 4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4,5-dimethoxy-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.