2-methoxy-N-(5-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 2-methoxy-N-(5-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 690709-64-9) is a chemical compound with molecular formula C19H17N5O6S2 and molecular weight 475.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-N-[5-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: 2-methoxy-N-(5-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, 2-methoxy-N-[5-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide, 2-methoxy-N-[(2Z)-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide, 2-methoxy-N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide, 2-methoxy-N-[5-[(4-methoxy-2-nitro-phenyl)carbamoylmethylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C19H17N5O6S2 |
|---|---|
| Molecular Weight | 475.06 g/mol |
| LogP | 3.4466 |
| Topological Polar Surface Area | 145.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 475.062 |
| Heavy Atoms | 32 |
| Complexity | 1152.742 |
Chemical Identifiers
| CAS Number | 690709-64-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3OC)[N+](=O)[O-] |
Product Overview
2-methoxy-N-(5-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 690709-64-9), with molecular formula C19H17N5O6S2 and molecular weight 475.06 g/mol. IUPAC: 2-methoxy-N-[5-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 2-methoxy-N-(5-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 2-methoxy-N-(5-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 3.4466 indicates that 2-methoxy-N-(5-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.58 Ų indicates high polarity, suggesting 2-methoxy-N-(5-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-methoxy-N-(5-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide has 2 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 2-methoxy-N-(5-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 2-methoxy-N-(5-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 690709-64-9.
What is the molecular formula of 2-methoxy-N-(5-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 2-methoxy-N-(5-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is C19H17N5O6S2.
What is the molecular weight of 2-methoxy-N-(5-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 2-methoxy-N-(5-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 475.06 g/mol.
Where can I buy 2-methoxy-N-(5-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 2-methoxy-N-(5-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)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-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methoxy-N-(5-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.