2-((Bis(2-chloroethyl)amino)methyl)-4-nitrophenol
TL;DR: 2-((Bis(2-chloroethyl)amino)methyl)-4-nitrophenol (CAS 56537-91-8) is a chemical compound with molecular formula C11H14Cl2N2O3 and molecular weight 292.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-chloroethyl)aminomethyl]-4-nitrophenol
Also Known As: Phenol, 2-((bis(2-chloroethyl)amino)methyl)-4-nitro-, 2-((Bis(2-chloroethyl)amino)methyl)-4-nitrophenol, 2-Di(beta-cloretil)-aminometil-4-nitrofenol, Bis(2-chloroethyl)aminomethyl-4-hydroxynitrobenzene, 2-{[bis(2-chloroethyl)amino]methyl}-4-nitrophenol
| Molecular Formula | C11H14Cl2N2O3 |
|---|---|
| Molecular Weight | 292.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.03815 |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 56537-91-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])CN(CCCl)CCCl)O |
| InChIKey | GJIOCEAUJZVVOI-UHFFFAOYSA-N |
Product Overview
2-((Bis(2-chloroethyl)amino)methyl)-4-nitrophenol (CAS 56537-91-8), with molecular formula C11H14Cl2N2O3 and molecular weight 292.04 g/mol. IUPAC: 2-[bis(2-chloroethyl)aminomethyl]-4-nitrophenol.
Chemical Property Profile of 2-((Bis(2-chloroethyl)amino)methyl)-4-nitrophenol
Property Insights of 2-((Bis(2-chloroethyl)amino)methyl)-4-nitrophenol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Bis(2-chloroethyl)amino)methyl)-4-nitrophenol. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((Bis(2-chloroethyl)amino)methyl)-4-nitrophenol. Following Lipinski's Rule of Five, 2-((Bis(2-chloroethyl)amino)methyl)-4-nitrophenol has 1 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-((Bis(2-chloroethyl)amino)methyl)-4-nitrophenol?
The CAS number of 2-((Bis(2-chloroethyl)amino)methyl)-4-nitrophenol is 56537-91-8.
What is the molecular formula of 2-((Bis(2-chloroethyl)amino)methyl)-4-nitrophenol?
The molecular formula of 2-((Bis(2-chloroethyl)amino)methyl)-4-nitrophenol is C11H14Cl2N2O3.
What is the molecular weight of 2-((Bis(2-chloroethyl)amino)methyl)-4-nitrophenol?
The molecular weight of 2-((Bis(2-chloroethyl)amino)methyl)-4-nitrophenol is 292.04 g/mol.
Where can I buy 2-((Bis(2-chloroethyl)amino)methyl)-4-nitrophenol?
You can request a quote for 2-((Bis(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-((Bis(2-chloroethyl)amino)methyl)-4-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-((Bis(2-chloroethyl)amino)methyl)-4-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.