![2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate structure](/static/products/7261/726162-67-0.webp)
2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate
TL;DR: 2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate (CAS 726162-67-0) is a chemical compound with molecular formula C21H22N6O6S and molecular weight 486.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetate
Also Known As: 2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate, [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetate
| Molecular Formula | C21H22N6O6S |
|---|---|
| Molecular Weight | 486.13 g/mol |
| LogP | 2.85844 |
| Topological Polar Surface Area | 151.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 486.13214 |
| Heavy Atoms | 34 |
| Complexity | 1230.2129 |
Chemical Identifiers
| CAS Number | 726162-67-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC(=O)OC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC |
Product Overview
2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate (CAS 726162-67-0), with molecular formula C21H22N6O6S and molecular weight 486.13 g/mol. IUPAC: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetate.
Chemical Property Profile of 2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate
Property Insights of 2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate
The XLogP value of 2.85844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate. The TPSA of 151.37 Ų indicates high polarity, suggesting 2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate 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 2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate?
The CAS number of 2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate is 726162-67-0.
What is the molecular formula of 2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate?
The molecular formula of 2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate is C21H22N6O6S.
What is the molecular weight of 2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate?
The molecular weight of 2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate is 486.13 g/mol.
Where can I buy 2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate?
You can request a quote for 2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl 2-[[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.