2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 690694-16-7) is a chemical compound with molecular formula C18H16N4O5S2 and molecular weight 432.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-N-[5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: 2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, 2-methoxy-N-[5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide, 2-methoxy-N-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide, 2-methoxy-N-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide, 2-methoxy-N-[(2Z)-5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
| Molecular Formula | C18H16N4O5S2 |
|---|---|
| Molecular Weight | 432.06 g/mol |
| LogP | 4.0081 |
| Topological Polar Surface Area | 116.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 432.0562 |
| Heavy Atoms | 29 |
| Complexity | 1040.5958 |
Chemical Identifiers
| CAS Number | 690694-16-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3OC |
Product Overview
2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 690694-16-7), with molecular formula C18H16N4O5S2 and molecular weight 432.06 g/mol. IUPAC: 2-methoxy-N-[5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 4.0081 indicates that 2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide 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 2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 690694-16-7.
What is the molecular formula of 2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is C18H16N4O5S2.
What is the molecular weight of 2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 432.06 g/mol.
Where can I buy 2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methoxy-N-(5-((2-methoxy-5-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.