![2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol structure](/static/products/7939/79395-70-3.webp)
2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol
TL;DR: 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol (CAS 79395-70-3) is a chemical compound with molecular formula C12H16Cl2N4O8 and molecular weight 414.03 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-trinitrophenol
Also Known As: 2-[bis(2-chloroethyl)amino]ethanol,2,4,6-trinitrophenol, 2-[bis(2-chloroethyl)amino]ethanol; 2,4,6-trinitrophenol, 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol, 2,4,6-trinitrophenol- 2-[bis(2-chloroethyl)amino]ethanol(1:1), 2,4,6-Trinitrophenol--2-[bis(2-chloroethyl)amino]ethan-1-ol (1/1)
| Molecular Formula | C12H16Cl2N4O8 |
|---|---|
| Molecular Weight | 414.03 g/mol |
| LogP | 1.8751 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.03452 |
| Heavy Atoms | 26 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 79395-70-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C(CO)N(CCCl)CCCl |
| InChIKey | DXSSCRPKNCNUOA-UHFFFAOYSA-N |
Product Overview
2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol (CAS 79395-70-3), with molecular formula C12H16Cl2N4O8 and molecular weight 414.03 g/mol. IUPAC: 2-[bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol.
Chemical Property Profile of 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol
Property Insights of 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol
The XLogP value of 1.8751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol. The TPSA of 181.0 Ų indicates high polarity, suggesting 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol has 2 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 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol?
The CAS number of 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol is 79395-70-3.
What is the molecular formula of 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol?
The molecular formula of 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol is C12H16Cl2N4O8.
What is the molecular weight of 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol?
The molecular weight of 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol is 414.03 g/mol.
Where can I buy 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol?
You can request a quote for 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol 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-trinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[Bis(2-chloroethyl)amino]ethanol;2,4,6-trinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.