N-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1)
TL;DR: N-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1) (CAS 93483-80-8) is a chemical compound with molecular formula C11H13ClN4O11S and molecular weight 444.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloroethyl(methyl)amino]acetic acid;2,4,6-trinitrobenzenesulfonic acid
Also Known As: N-(2-Chloroethyl)sarcosine picrylsulfonate, Sarcosine, N-(2-chloroethyl)-, picrylsulfonate, N-Methyl-N-(2-chloroethyl)glycine picrylsulfonate, Sarcosine, N-(2-chloroethyl)-, compd. with 2,4,6-trinitrobenzenesulfonic acid, N-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1)
| Molecular Formula | C11H13ClN4O11S |
|---|---|
| Molecular Weight | 444.00 g/mol |
| LogP | 0.8995 |
| Topological Polar Surface Area | 224.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.999 |
| Heavy Atoms | 28 |
| Complexity | 853.5181 |
Chemical Identifiers
| CAS Number | 93483-80-8 |
|---|---|
| SMILES | CN(CCCl)CC(=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1) (CAS 93483-80-8), with molecular formula C11H13ClN4O11S and molecular weight 444.00 g/mol. IUPAC: 2-[2-chloroethyl(methyl)amino]acetic acid;2,4,6-trinitrobenzenesulfonic acid.
Chemical Property Profile of N-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1)
Property Insights of N-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1)
The XLogP value of 0.8995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1). The TPSA of 224.33 Ų indicates high polarity, suggesting N-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1) has 2 hydrogen bond donor(s) and 10 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-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1)?
The CAS number of N-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1) is 93483-80-8.
What is the molecular formula of N-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1)?
The molecular formula of N-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1) is C11H13ClN4O11S.
What is the molecular weight of N-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1)?
The molecular weight of N-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1) is 444.00 g/mol.
Where can I buy N-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1)?
You can request a quote for N-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1)?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)-N-methylglycine--2,4,6-trinitrobenzene-1-sulfonic acid (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.