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Ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate
TL;DR: Ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate (CAS 478039-33-7) is a chemical compound with molecular formula C16H15Cl2N3O6S and molecular weight 447.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[(2,5-dichlorophenyl)sulfonylamino]-2-nitroanilino]acetate
Also Known As: 3R-0105, ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate, ethyl 2-[4-[(2,5-dichlorophenyl)sulfonylamino]-2-nitroanilino]acetate, ethyl 2-{[4-(2,5-dichlorobenzenesulfonamido)-2-nitrophenyl]amino}acetate, Ethyl 2-[[4-[(2,5-dichlorophenyl)sulfonylamino]-2-nitro-phenyl]amino]acetate
| Molecular Formula | C16H15Cl2N3O6S |
|---|---|
| Molecular Weight | 447.01 g/mol |
| LogP | 3.6774 |
| Topological Polar Surface Area | 127.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.00586 |
| Heavy Atoms | 28 |
| Complexity | 1013.4343 |
Chemical Identifiers
| CAS Number | 478039-33-7 |
|---|---|
| SMILES | CCOC(=O)CNC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-] |
Product Overview
Ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate (CAS 478039-33-7), with molecular formula C16H15Cl2N3O6S and molecular weight 447.01 g/mol. IUPAC: ethyl 2-[4-[(2,5-dichlorophenyl)sulfonylamino]-2-nitroanilino]acetate.
Chemical Property Profile of Ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate
Property Insights of Ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate
The XLogP value of 3.6774 indicates that Ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate. Following Lipinski's Rule of Five, Ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate has 2 hydrogen bond donor(s) and 7 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 Ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate?
The CAS number of Ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate is 478039-33-7.
What is the molecular formula of Ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate?
The molecular formula of Ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate is C16H15Cl2N3O6S.
What is the molecular weight of Ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate?
The molecular weight of Ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate is 447.01 g/mol.
Where can I buy Ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate?
You can request a quote for Ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}-2-nitroanilino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.