![(5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide structure](/static/products/315/315201-71-9.png)
(5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide
TL;DR: (5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide (CAS 315201-71-9) is a chemical compound with molecular formula C20H17N5O3S3 and molecular weight 471.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
Also Known As: (5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide, (E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide, 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide, 2-{[5-(BENZYLSULFANYL)-1,3,4-THIADIAZOL-2-YL]SULFANYL}-N'-[(E,2E)-3-(2-NITROPHENYL)-2-PROPENYLIDENE]ACETOHYDRAZIDE
| Molecular Formula | C20H17N5O3S3 |
|---|---|
| Molecular Weight | 471.05 g/mol |
| LogP | 4.6461 |
| Topological Polar Surface Area | 110.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 471.04935 |
| Heavy Atoms | 31 |
| Complexity | 1086.4292 |
Chemical Identifiers
| CAS Number | 315201-71-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)N/N=C/C=C/C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
(5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide (CAS 315201-71-9), with molecular formula C20H17N5O3S3 and molecular weight 471.05 g/mol. IUPAC: 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide.
Chemical Property Profile of (5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide
Property Insights of (5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide
The XLogP value of 4.6461 indicates that (5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide. Following Lipinski's Rule of Five, (5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide 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 (5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide?
The CAS number of (5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide is 315201-71-9.
What is the molecular formula of (5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide?
The molecular formula of (5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide is C20H17N5O3S3.
What is the molecular weight of (5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide?
The molecular weight of (5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide is 471.05 g/mol.
Where can I buy (5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide?
You can request a quote for (5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide?
Yes, KEHONG BIO provides custom synthesis services for (5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.