![[(4-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate structure](/static/products/2372/23721-18-8.webp)
[(4-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate
TL;DR: [(4-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate (CAS 23721-18-8) is a chemical compound with molecular formula C12H18N2O8S2 and molecular weight 382.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-methylsulfonyloxyethyl)-4-nitroanilino]ethyl methanesulfonate
Also Known As: KST-1A3017, [(4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate, 5-Hexene-1,3,5-tricarboxylic acid,trimethyl ester, 2-[N-(2-methylsulfonyloxyethyl)-4-nitroanilino]ethyl methanesulfonate, N,N-bis(2-((methylsulfonyl)oxy)ethyl)-4-nitroaniline
| Molecular Formula | C12H18N2O8S2 |
|---|---|
| Molecular Weight | 382.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 382.05045 |
| Heavy Atoms | 24 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 23721-18-8 |
|---|---|
| SMILES | CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | MKJJKDLLIIYLNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(4-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate (CAS 23721-18-8), with molecular formula C12H18N2O8S2 and molecular weight 382.05 g/mol. IUPAC: 2-[N-(2-methylsulfonyloxyethyl)-4-nitroanilino]ethyl methanesulfonate.
Chemical Property Profile of [(4-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate
Property Insights of [(4-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate. The TPSA of 153.0 Ų indicates high polarity, suggesting [(4-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [(4-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate has 0 hydrogen bond donor(s) and 9 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 [(4-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate?
The CAS number of [(4-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate is 23721-18-8.
What is the molecular formula of [(4-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate?
The molecular formula of [(4-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate is C12H18N2O8S2.
What is the molecular weight of [(4-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate?
The molecular weight of [(4-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate is 382.05 g/mol.
Where can I buy [(4-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate?
You can request a quote for [(4-Nitrophenyl)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-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [(4-Nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.