N-nitrosomethyl-(2-hydroxyethyl)amine 4-toluenesulfonate ester
TL;DR: N-nitrosomethyl-(2-hydroxyethyl)amine 4-toluenesulfonate ester (CAS 66398-63-8) is a chemical compound with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methyl(nitroso)amino]ethyl 4-methylbenzenesulfonate
Also Known As: NMHEATs, N-Nitrosomethyl-(2-tosyloxyethyl) amine, 2-[methyl(nitroso)amino]ethyl 4-methylbenzenesulfonate, N-NITROSOMETHYL-(2-TOSYLOXYETHYL)AMINE, NITROSOMETHYL-(2-TOSYLOXYETHYL)AMINE, N-
| Molecular Formula | C10H14N2O4S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.0674 |
| Heavy Atoms | 17 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 66398-63-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)N=O |
| InChIKey | SUJOMVHQTCCFTH-UHFFFAOYSA-N |
Product Overview
N-nitrosomethyl-(2-hydroxyethyl)amine 4-toluenesulfonate ester (CAS 66398-63-8), with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol. IUPAC: 2-[methyl(nitroso)amino]ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of N-nitrosomethyl-(2-hydroxyethyl)amine 4-toluenesulfonate ester
Property Insights of N-nitrosomethyl-(2-hydroxyethyl)amine 4-toluenesulfonate ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-nitrosomethyl-(2-hydroxyethyl)amine 4-toluenesulfonate ester. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-nitrosomethyl-(2-hydroxyethyl)amine 4-toluenesulfonate ester. Following Lipinski's Rule of Five, N-nitrosomethyl-(2-hydroxyethyl)amine 4-toluenesulfonate ester has 0 hydrogen bond donor(s) and 6 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 N-nitrosomethyl-(2-hydroxyethyl)amine 4-toluenesulfonate ester?
The CAS number of N-nitrosomethyl-(2-hydroxyethyl)amine 4-toluenesulfonate ester is 66398-63-8.
What is the molecular formula of N-nitrosomethyl-(2-hydroxyethyl)amine 4-toluenesulfonate ester?
The molecular formula of N-nitrosomethyl-(2-hydroxyethyl)amine 4-toluenesulfonate ester is C10H14N2O4S.
What is the molecular weight of N-nitrosomethyl-(2-hydroxyethyl)amine 4-toluenesulfonate ester?
The molecular weight of N-nitrosomethyl-(2-hydroxyethyl)amine 4-toluenesulfonate ester is 258.07 g/mol.
Where can I buy N-nitrosomethyl-(2-hydroxyethyl)amine 4-toluenesulfonate ester?
You can request a quote for N-nitrosomethyl-(2-hydroxyethyl)amine 4-toluenesulfonate ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-nitrosomethyl-(2-hydroxyethyl)amine 4-toluenesulfonate ester?
Yes, KEHONG BIO provides custom synthesis services for N-nitrosomethyl-(2-hydroxyethyl)amine 4-toluenesulfonate ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.