Chlorimine picryl sulfonate
TL;DR: Chlorimine picryl sulfonate (CAS 547-95-5) is a chemical compound with molecular formula C11H13ClN4O9S and molecular weight 412.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloropropyl)aziridin-1-ium;2,4,6-trinitrobenzenesulfonate
Also Known As: Chlorimine picryl sulfonate, Methyl-beta-chloroethyl-ethylenimonium picrylsulfonate, 1-Methyl-1-(beta-chloroethyl)ethylenimonium picrylsulfonate, 1-(2-Chloroethyl)-1-methylaziridinium 2,4,6-trinitrobenzenesulfonate, Aziridinium, 1-(2-chloroethyl)-1-methyl-, 2,4,6-trinitrobenzenesulfonate
| Molecular Formula | C11H13ClN4O9S |
|---|---|
| Molecular Weight | 412.01 g/mol |
| LogP | -0.17 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.0092 |
| Heavy Atoms | 26 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 547-95-5 |
|---|---|
| SMILES | C1C[NH+]1CCCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CODNXQDQAPZBMO-UHFFFAOYSA-N |
Product Overview
Chlorimine picryl sulfonate (CAS 547-95-5), with molecular formula C11H13ClN4O9S and molecular weight 412.01 g/mol. IUPAC: 1-(3-chloropropyl)aziridin-1-ium;2,4,6-trinitrobenzenesulfonate.
Chemical Property Profile of Chlorimine picryl sulfonate
Property Insights of Chlorimine picryl sulfonate
The XLogP value of -0.17 indicates that Chlorimine picryl sulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.0 Ų indicates high polarity, suggesting Chlorimine picryl sulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chlorimine picryl sulfonate has 1 hydrogen bond donor(s) and 9 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 Chlorimine picryl sulfonate?
The CAS number of Chlorimine picryl sulfonate is 547-95-5.
What is the molecular formula of Chlorimine picryl sulfonate?
The molecular formula of Chlorimine picryl sulfonate is C11H13ClN4O9S.
What is the molecular weight of Chlorimine picryl sulfonate?
The molecular weight of Chlorimine picryl sulfonate is 412.01 g/mol.
Where can I buy Chlorimine picryl sulfonate?
You can request a quote for Chlorimine picryl sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorimine picryl sulfonate?
Yes, KEHONG BIO provides custom synthesis services for Chlorimine picryl sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.