Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide
TL;DR: Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide (CAS 98277-88-4) is a chemical compound with molecular formula C6H13Cl2NO4S and molecular weight 264.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-2-sulfoethanamine oxide
Also Known As: Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide, N,N-bis(2-chloroethyl)-2-sulfoethanamine oxide, 2-(Bis(2-chloroethyl)amino)ethanesulfonic acid N-oxide, 4-04-00-03290 (Beilstein Handbook Reference), N,N-Bis(2-chloroethyl)-2-sulfoethanamine-N-oxide
| Molecular Formula | C6H13Cl2NO4S |
|---|---|
| Molecular Weight | 264.99 g/mol |
| LogP | 0.6664 |
| Topological Polar Surface Area | 77.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 264.99423 |
| Heavy Atoms | 14 |
| Complexity | 250.55711 |
Chemical Identifiers
| CAS Number | 98277-88-4 |
|---|---|
| SMILES | C(CS(=O)(=O)O)[N+](CCCl)(CCCl)[O-] |
Product Overview
Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide (CAS 98277-88-4), with molecular formula C6H13Cl2NO4S and molecular weight 264.99 g/mol. IUPAC: N,N-bis(2-chloroethyl)-2-sulfoethanamine oxide.
Chemical Property Profile of Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide
Property Insights of Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide
The XLogP value of 0.6664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide. The TPSA of 77.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide. Following Lipinski's Rule of Five, Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide has 1 hydrogen bond donor(s) and 3 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 Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide?
The CAS number of Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide is 98277-88-4.
What is the molecular formula of Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide?
The molecular formula of Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide is C6H13Cl2NO4S.
What is the molecular weight of Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide?
The molecular weight of Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide is 264.99 g/mol.
Where can I buy Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide?
You can request a quote for Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.