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Methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate
TL;DR: Methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate (CAS 357389-74-3) is a chemical compound with molecular formula C17H18N2O8S and molecular weight 410.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate
Also Known As: BAS 00884830, BIM-0029620.P001, methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate, methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate, methyl 2-(N-(2,4-dimethoxyphenyl)-2-nitrophenylsulfonamido)acetate
| Molecular Formula | C17H18N2O8S |
|---|---|
| Molecular Weight | 410.08 g/mol |
| LogP | 1.9803 |
| Topological Polar Surface Area | 125.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.0784 |
| Heavy Atoms | 28 |
| Complexity | 990.4019 |
Chemical Identifiers
| CAS Number | 357389-74-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)N(CC(=O)OC)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OC |
Product Overview
Methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate (CAS 357389-74-3), with molecular formula C17H18N2O8S and molecular weight 410.08 g/mol. IUPAC: methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate.
Chemical Property Profile of Methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate
Property Insights of Methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate
The XLogP value of 1.9803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate. The TPSA of 125.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate. Following Lipinski's Rule of Five, Methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate has 0 hydrogen bond donor(s) and 8 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 Methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate?
The CAS number of Methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate is 357389-74-3.
What is the molecular formula of Methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate?
The molecular formula of Methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate is C17H18N2O8S.
What is the molecular weight of Methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate?
The molecular weight of Methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate is 410.08 g/mol.
Where can I buy Methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate?
You can request a quote for Methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [({2-nitrophenyl}sulfonyl)-2,4-dimethoxyanilino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.