![2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid structure](/static/products/5457/5457-23-8.webp)
2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid
TL;DR: 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid (CAS 5457-23-8) is a chemical compound with molecular formula C12H16Cl2N4O10S and molecular weight 478.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid
Also Known As: 2,4,6-trinitrobenzenesulfonic acid- 2-[bis(2-chloroethyl)amino]ethanol(1:1), 2-[bis(2-chloroethyl)amino]ethanol,2,4,6-trinitrobenzenesulf, 3,3'-sulfanediyl-di-propionic acid bis-trans-cinnamylidenehydrazide, 2-[bis(2-chloroethyl)amino]ethanol,2,4,6-trinitrobenzenesulfonic acid, 2-[bis(2-chloroethyl)amino]ethanol; 2,4,6-trinitrobenzenesulfonic acid
| Molecular Formula | C12H16Cl2N4O10S |
|---|---|
| Molecular Weight | 478.00 g/mol |
| LogP | 1.4162 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.99643 |
| Heavy Atoms | 29 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 5457-23-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-].C(CO)N(CCCl)CCCl |
| InChIKey | DMARRFIOLMIREZ-UHFFFAOYSA-N |
Product Overview
2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid (CAS 5457-23-8), with molecular formula C12H16Cl2N4O10S and molecular weight 478.00 g/mol. IUPAC: 2-[bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid.
Chemical Property Profile of 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid
Property Insights of 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid
The XLogP value of 1.4162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid. The TPSA of 224.0 Ų indicates high polarity, suggesting 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid?
The CAS number of 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid is 5457-23-8.
What is the molecular formula of 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid?
The molecular formula of 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid is C12H16Cl2N4O10S.
What is the molecular weight of 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid?
The molecular weight of 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid is 478.00 g/mol.
Where can I buy 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid?
You can request a quote for 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.