Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate
TL;DR: Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate (CAS 66902-69-0) is a chemical compound with molecular formula C13H22ClNO4S and molecular weight 323.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-(2-chloroethyl)-ethyl-methylazanium;methyl sulfate
Also Known As: Benzyl(2-chloroethyl)ethylmethylammonium methyl sulfate, AMMONIUM, BENZYL(2-CHLOROETHYL)ETHYLMETHYL-, METHYL SULFATE, benzyl-(2-chloroethyl)-ethyl-methylazanium; methyl sulfate, N-Benzyl-2-chloro-N-ethyl-N-methylethan-1-aminium methyl sulfate, Benzenemethanaminium, N-(2-chloroethyl)-N-ethyl-N-methyl-, methyl sulfate
| Molecular Formula | C13H22ClNO4S |
|---|---|
| Molecular Weight | 323.10 g/mol |
| LogP | 1.98 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.0958 |
| Heavy Atoms | 20 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 66902-69-0 |
|---|---|
| SMILES | CC[N+](C)(CCCl)CC1=CC=CC=C1.COS(=O)(=O)[O-] |
| InChIKey | MWKUVOJSLLBIPM-UHFFFAOYSA-M |
Product Overview
Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate (CAS 66902-69-0), with molecular formula C13H22ClNO4S and molecular weight 323.10 g/mol. IUPAC: benzyl-(2-chloroethyl)-ethyl-methylazanium;methyl sulfate.
Chemical Property Profile of Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate
Property Insights of Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate
The XLogP value of 1.98 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate. Following Lipinski's Rule of Five, Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate has 0 hydrogen bond donor(s) and 4 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 Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate?
The CAS number of Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate is 66902-69-0.
What is the molecular formula of Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate?
The molecular formula of Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate is C13H22ClNO4S.
What is the molecular weight of Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate?
The molecular weight of Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate is 323.10 g/mol.
Where can I buy Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate?
You can request a quote for Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.