RefChem:156926
TL;DR: RefChem:156926 (CAS 68214-80-2) is a chemical compound with molecular formula C12H20ClN3O3S and molecular weight 321.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(N-ethyl-3-methyl-4-nitrosoanilino)ethyl]methanesulfonamide;hydrochloride
Also Known As: 4-Nitroso-N-ethyl-N-(2-methylsulfonamidoethyl)-m-toluidine hydrochloride, Methanesulfonamide, N-[2-[ethyl(3-methyl-4-nitrosophenyl)amino]ethyl]-, monohydrochloride, Methanesulfonamide, N-(2-(ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-, hydrochloride (1:1), Methanesulfonamide, N-(2-(ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-, monohydrochloride, Methanesulfonamide, N-[2-[ethyl(3-methyl-4-nitrosophenyl)amino]ethyl]-, hydrochloride (1:1)
| Molecular Formula | C12H20ClN3O3S |
|---|---|
| Molecular Weight | 321.09 g/mol |
| LogP | 2.19 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.0914 |
| Heavy Atoms | 20 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 68214-80-2 |
|---|---|
| SMILES | CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N=O)C.Cl |
| InChIKey | DHUWUDCIIGPHFN-UHFFFAOYSA-N |
Product Overview
RefChem:156926 (CAS 68214-80-2), with molecular formula C12H20ClN3O3S and molecular weight 321.09 g/mol. IUPAC: N-[2-(N-ethyl-3-methyl-4-nitrosoanilino)ethyl]methanesulfonamide;hydrochloride.
Chemical Property Profile of RefChem:156926
Property Insights of RefChem:156926
The XLogP value of 2.19 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:156926. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:156926. Following Lipinski's Rule of Five, RefChem:156926 has 2 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 RefChem:156926?
The CAS number of RefChem:156926 is 68214-80-2.
What is the molecular formula of RefChem:156926?
The molecular formula of RefChem:156926 is C12H20ClN3O3S.
What is the molecular weight of RefChem:156926?
The molecular weight of RefChem:156926 is 321.09 g/mol.
Where can I buy RefChem:156926?
You can request a quote for RefChem:156926 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:156926?
Yes, KEHONG BIO provides custom synthesis services for RefChem:156926 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.