ethylmethanesulfonato-CNU
TL;DR: ethylmethanesulfonato-CNU (CAS 61866-12-4) is a chemical compound with molecular formula C6H12ClN3O5S and molecular weight 273.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethyl methanesulfonate
Also Known As: Cnuems, Ethylmethanesulfonato-cnu, Hecnu-MS, Hydroxyethyl-cnu-methanesulfonate, NIOSH/YS4986100
| Molecular Formula | C6H12ClN3O5S |
|---|---|
| Molecular Weight | 273.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.01862 |
| Heavy Atoms | 16 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 61866-12-4 |
|---|---|
| SMILES | CS(=O)(=O)OCCNC(=O)N(CCCl)N=O |
| InChIKey | DXQWOICMDIEAOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethylmethanesulfonato-CNU (CAS 61866-12-4), with molecular formula C6H12ClN3O5S and molecular weight 273.02 g/mol. IUPAC: 2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethyl methanesulfonate.
Chemical Property Profile of ethylmethanesulfonato-CNU
Property Insights of ethylmethanesulfonato-CNU
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethylmethanesulfonato-CNU. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethylmethanesulfonato-CNU. Following Lipinski's Rule of Five, ethylmethanesulfonato-CNU has 1 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 ethylmethanesulfonato-CNU?
The CAS number of ethylmethanesulfonato-CNU is 61866-12-4.
What is the molecular formula of ethylmethanesulfonato-CNU?
The molecular formula of ethylmethanesulfonato-CNU is C6H12ClN3O5S.
What is the molecular weight of ethylmethanesulfonato-CNU?
The molecular weight of ethylmethanesulfonato-CNU is 273.02 g/mol.
Where can I buy ethylmethanesulfonato-CNU?
You can request a quote for ethylmethanesulfonato-CNU directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethylmethanesulfonato-CNU?
Yes, KEHONG BIO provides custom synthesis services for ethylmethanesulfonato-CNU and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.