Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride
TL;DR: Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride (CAS 77905-50-1) is a chemical compound with molecular formula C11H15Cl3N2O3 and molecular weight 328.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)aminomethyl]-2-nitrophenol;hydrochloride
Also Known As: 4-((Bis -2-nitro-phenolhydrochloride, 4-Hydroxy-3-nitrobenzyl-bis(2-chloroethyl)amine hydrochloride, Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride, 4-((Bis(2-chloroethyl)amino)methyl)-2-nitro-phenol hydrochloride, 4-[bis(2-chloroethyl)aminomethyl]-2-nitrophenol,hydrochloride
| Molecular Formula | C11H15Cl3N2O3 |
|---|---|
| Molecular Weight | 328.01 g/mol |
| LogP | 3.0018 |
| Topological Polar Surface Area | 66.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 328.01483 |
| Heavy Atoms | 19 |
| Complexity | 412.17194 |
Chemical Identifiers
| CAS Number | 77905-50-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1CN(CCCl)CCCl)[N+](=O)[O-])O.Cl |
Product Overview
Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride (CAS 77905-50-1), with molecular formula C11H15Cl3N2O3 and molecular weight 328.01 g/mol. IUPAC: 4-[bis(2-chloroethyl)aminomethyl]-2-nitrophenol;hydrochloride.
Chemical Property Profile of Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride
Property Insights of Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride
The XLogP value of 3.0018 indicates that Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride. Following Lipinski's Rule of Five, Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride 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 Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride?
The CAS number of Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride is 77905-50-1.
What is the molecular formula of Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride?
The molecular formula of Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride is C11H15Cl3N2O3.
What is the molecular weight of Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride?
The molecular weight of Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride is 328.01 g/mol.
Where can I buy Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride?
You can request a quote for Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.