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Ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate
TL;DR: Ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate (CAS 23818-25-9) is a chemical compound with molecular formula C15H22N2O10S2 and molecular weight 454.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[bis(2-methylsulfonyloxyethyl)amino]-2-nitrobenzoate
Also Known As: ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate, ethyl 5-[bis(2-methylsulfonyloxyethyl)amino]-2-nitrobenzoate, [(3-fluoro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate, Benzoic acid,5-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-2-nitro-, ethyl ester, Ethyl 5-(bis{2-[(methanesulfonyl)oxy]ethyl}amino)-2-nitrobenzoate
| Molecular Formula | C15H22N2O10S2 |
|---|---|
| Molecular Weight | 454.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 454.0716 |
| Heavy Atoms | 29 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 23818-25-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)[N+](=O)[O-] |
| InChIKey | MDWAUGBOVGJDHG-UHFFFAOYSA-N |
Product Overview
Ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate (CAS 23818-25-9), with molecular formula C15H22N2O10S2 and molecular weight 454.07 g/mol. IUPAC: ethyl 5-[bis(2-methylsulfonyloxyethyl)amino]-2-nitrobenzoate.
Chemical Property Profile of Ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate
Property Insights of Ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate. The TPSA of 179.0 Ų indicates high polarity, suggesting Ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate?
The CAS number of Ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate is 23818-25-9.
What is the molecular formula of Ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate?
The molecular formula of Ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate is C15H22N2O10S2.
What is the molecular weight of Ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate?
The molecular weight of Ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate is 454.07 g/mol.
Where can I buy Ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate?
You can request a quote for Ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(bis{2-[(methylsulfonyl)oxy]ethyl}amino)-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.