![[(3-Methyl-4-nitrosophenyl)imino]diethane-2,1-diyl dimethanesulfonate structure](/static/products/2296/22964-39-2.webp)
[(3-Methyl-4-nitrosophenyl)imino]diethane-2,1-diyl dimethanesulfonate
TL;DR: [(3-Methyl-4-nitrosophenyl)imino]diethane-2,1-diyl dimethanesulfonate (CAS 22964-39-2) is a chemical compound with molecular formula C13H20N2O7S2 and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-methyl-N-(2-methylsulfonyloxyethyl)-4-nitrosoanilino]ethyl methanesulfonate
Also Known As: KST-1A2910, [(3-methyl-4-nitrosophenyl)imino]diethane-2,1-diyl dimethanesulfonate, benzo[b]thiophene-3-ethanamine,5-bromo-,hydrochloride(1:1), 2-[3-methyl-N-(2-methylsulfonyloxyethyl)-4-nitrosoanilino]et, 2-[3-methyl-N-(2-methylsulfonyloxyethyl)-4-nitrosoanilino]ethyl methanesulfonate
| Molecular Formula | C13H20N2O7S2 |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 380.0712 |
| Heavy Atoms | 24 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 22964-39-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)N=O |
| InChIKey | ASMRMJLWLLWOCK-UHFFFAOYSA-N |
Product Overview
[(3-Methyl-4-nitrosophenyl)imino]diethane-2,1-diyl dimethanesulfonate (CAS 22964-39-2), with molecular formula C13H20N2O7S2 and molecular weight 380.07 g/mol. IUPAC: 2-[3-methyl-N-(2-methylsulfonyloxyethyl)-4-nitrosoanilino]ethyl methanesulfonate.
Chemical Property Profile of [(3-Methyl-4-nitrosophenyl)imino]diethane-2,1-diyl dimethanesulfonate
Property Insights of [(3-Methyl-4-nitrosophenyl)imino]diethane-2,1-diyl dimethanesulfonate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3-Methyl-4-nitrosophenyl)imino]diethane-2,1-diyl dimethanesulfonate. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3-Methyl-4-nitrosophenyl)imino]diethane-2,1-diyl dimethanesulfonate. Following Lipinski's Rule of Five, [(3-Methyl-4-nitrosophenyl)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 [(3-Methyl-4-nitrosophenyl)imino]diethane-2,1-diyl dimethanesulfonate?
The CAS number of [(3-Methyl-4-nitrosophenyl)imino]diethane-2,1-diyl dimethanesulfonate is 22964-39-2.
What is the molecular formula of [(3-Methyl-4-nitrosophenyl)imino]diethane-2,1-diyl dimethanesulfonate?
The molecular formula of [(3-Methyl-4-nitrosophenyl)imino]diethane-2,1-diyl dimethanesulfonate is C13H20N2O7S2.
What is the molecular weight of [(3-Methyl-4-nitrosophenyl)imino]diethane-2,1-diyl dimethanesulfonate?
The molecular weight of [(3-Methyl-4-nitrosophenyl)imino]diethane-2,1-diyl dimethanesulfonate is 380.07 g/mol.
Where can I buy [(3-Methyl-4-nitrosophenyl)imino]diethane-2,1-diyl dimethanesulfonate?
You can request a quote for [(3-Methyl-4-nitrosophenyl)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 [(3-Methyl-4-nitrosophenyl)imino]diethane-2,1-diyl dimethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [(3-Methyl-4-nitrosophenyl)imino]diethane-2,1-diyl dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.