(E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide
TL;DR: (E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide (CAS 956792-03-3) is a chemical compound with molecular formula C18H19N7O4S2 and molecular weight 461.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[4-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
Also Known As: (E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide, N'-[(E)-(4-methoxy-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}phenyl)methylidene]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide, N-[(E)-[4-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
| Molecular Formula | C18H19N7O4S2 |
|---|---|
| Molecular Weight | 461.09 g/mol |
| LogP | 2.71084 |
| Topological Polar Surface Area | 137.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 461.094 |
| Heavy Atoms | 31 |
| Complexity | 1126.0637 |
Chemical Identifiers
| CAS Number | 956792-03-3 |
|---|---|
| SMILES | CC1=CC(=NN1CC(=O)N/N=C/C2=CC(=C(C=C2)OC)CSC3=NN=C(S3)C)[N+](=O)[O-] |
Product Overview
(E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide (CAS 956792-03-3), with molecular formula C18H19N7O4S2 and molecular weight 461.09 g/mol. IUPAC: N-[(E)-[4-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.
Chemical Property Profile of (E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide
Property Insights of (E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide
The XLogP value of 2.71084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide. The TPSA of 137.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide has 1 hydrogen bond donor(s) and 10 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 (E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide?
The CAS number of (E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide is 956792-03-3.
What is the molecular formula of (E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide?
The molecular formula of (E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide is C18H19N7O4S2.
What is the molecular weight of (E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide?
The molecular weight of (E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide is 461.09 g/mol.
Where can I buy (E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide?
You can request a quote for (E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-(4-methoxy-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)benzylidene)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.