p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl-
TL;DR: p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl- (CAS 64048-66-4) is a chemical compound with molecular formula C17H18Cl2N2O and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[bis(2-chloroethyl)amino]phenyl]imino-3-methylcyclohexa-2,5-dien-1-one
Also Known As: 3-Aminophenyltrimethylammonium iodide, N-(4'-Di-2''-chloroethylaminophenyl)-3-methylbenzoquinoneimine, p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl-, 4-[4-[bis(2-chloroethyl)amino]phenyl]imino-3-methylcyclohexa-2,5-dien-1-one, 2, 4-[[4-[bis(2-chloroethyl)amino]phenyl]imino]-3-methyl-
| Molecular Formula | C17H18Cl2N2O |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.07962 |
| Heavy Atoms | 22 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 64048-66-4 |
|---|---|
| SMILES | CC1=CC(=O)C=CC1=NC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | LFWSLDLFKNVKPN-UHFFFAOYSA-N |
Product Overview
p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl- (CAS 64048-66-4), with molecular formula C17H18Cl2N2O and molecular weight 336.08 g/mol. IUPAC: 4-[4-[bis(2-chloroethyl)amino]phenyl]imino-3-methylcyclohexa-2,5-dien-1-one.
Chemical Property Profile of p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl-
Property Insights of p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl-
The XLogP value of 3.5 indicates that p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl- has 0 hydrogen bond donor(s) and 3 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 p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl-?
The CAS number of p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl- is 64048-66-4.
What is the molecular formula of p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl-?
The molecular formula of p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl- is C17H18Cl2N2O.
What is the molecular weight of p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl-?
The molecular weight of p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl- is 336.08 g/mol.
Where can I buy p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl-?
You can request a quote for p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.