![{[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate structure](/static/products/2381/23818-24-8.webp)
{[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate
TL;DR: {[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate (CAS 23818-24-8) is a chemical compound with molecular formula C13H17F3N2O8S2 and molecular weight 450.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-methylsulfonyloxyethyl)-4-nitro-3-(trifluoromethyl)anilino]ethyl methanesulfonate
Also Known As: KST-1B2035, {[4-nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate, 2-[N-(2-methylsulfonyloxyethyl)-4-nitro-3-(trifluoromethyl)a, 2-[N-(2-methylsulfonyloxyethyl)-4-nitro-3-(trifluoromethyl)anilino]ethyl methanesulfonate, {[4-Nitro-3-(trifluoromethyl)phenyl]azanediyl}di(ethane-2,1-diyl) dimethanesulfonate
| Molecular Formula | C13H17F3N2O8S2 |
|---|---|
| Molecular Weight | 450.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 450.03784 |
| Heavy Atoms | 28 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 23818-24-8 |
|---|---|
| SMILES | CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F |
| InChIKey | CEFRFPNNQWBKQY-UHFFFAOYSA-N |
Product Overview
{[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate (CAS 23818-24-8), with molecular formula C13H17F3N2O8S2 and molecular weight 450.04 g/mol. IUPAC: 2-[N-(2-methylsulfonyloxyethyl)-4-nitro-3-(trifluoromethyl)anilino]ethyl methanesulfonate.
Chemical Property Profile of {[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate
Property Insights of {[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate. The TPSA of 153.0 Ų indicates high polarity, suggesting {[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, {[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of {[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate?
The CAS number of {[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate is 23818-24-8.
What is the molecular formula of {[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate?
The molecular formula of {[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate is C13H17F3N2O8S2.
What is the molecular weight of {[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate?
The molecular weight of {[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate is 450.04 g/mol.
Where can I buy {[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate?
You can request a quote for {[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for {[4-Nitro-3-(trifluoromethyl)phenyl]imino}diethane-2,1-diyl dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.