2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol
TL;DR: 2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol (CAS 56538-00-2) is a chemical compound with molecular formula C9H11ClN2O3 and molecular weight 230.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloroethylamino)methyl]-4-nitrophenol
Also Known As: 4-Chloro-2-ethyl-6-nitrophenol, Phenol, 2-(((2-chloroethyl)amino)methyl)-4-nitro-, 2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol, N-(2-Chloroethyl)aminomethyl-4-hydroxynitrobenzene, N-(2-Chloroethyl)-aminomethyl-1,4-hydroxy nitrobenzene
| Molecular Formula | C9H11ClN2O3 |
|---|---|
| Molecular Weight | 230.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.04582 |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 56538-00-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])CNCCCl)O |
| InChIKey | YGVGEVVZUDZKTR-UHFFFAOYSA-N |
Product Overview
2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol (CAS 56538-00-2), with molecular formula C9H11ClN2O3 and molecular weight 230.05 g/mol. IUPAC: 2-[(2-chloroethylamino)methyl]-4-nitrophenol.
Chemical Property Profile of 2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol
Property Insights of 2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol. Following Lipinski's Rule of Five, 2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol has 2 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 2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol?
The CAS number of 2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol is 56538-00-2.
What is the molecular formula of 2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol?
The molecular formula of 2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol is C9H11ClN2O3.
What is the molecular weight of 2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol?
The molecular weight of 2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol is 230.05 g/mol.
Where can I buy 2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol?
You can request a quote for 2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(((2-Chloroethyl)amino)methyl)-4-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.