p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-
TL;DR: p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)- (CAS 64048-64-2) is a chemical compound with molecular formula C16H16Cl2N2O and molecular weight 322.06 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]iminocyclohexa-2,5-dien-1-one
Also Known As: N,N-Bis(2-chloroethyl)indoaniline, 3-Aminophenyltrimethylammonium iodide, p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-, N-(4'-Di-2''-chloroethylaminophenyl)benzoquinoneimine, 4-({4-[bis(2-chloroethyl)amino]phenyl}imino)cyclohexa-2,5-dien-1-one
| Molecular Formula | C16H16Cl2N2O |
|---|---|
| Molecular Weight | 322.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.06396 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 64048-64-2 |
|---|---|
| SMILES | C1=CC(=O)C=CC1=NC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | LUKFYERPDCANBJ-UHFFFAOYSA-N |
Product Overview
p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)- (CAS 64048-64-2), with molecular formula C16H16Cl2N2O and molecular weight 322.06 g/mol. IUPAC: 4-[4-[bis(2-chloroethyl)amino]phenyl]iminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-
Property Insights of p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-
The XLogP value of 3.2 indicates that p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)- 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)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)- 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)-?
The CAS number of p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)- is 64048-64-2.
What is the molecular formula of p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-?
The molecular formula of p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)- is C16H16Cl2N2O.
What is the molecular weight of p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-?
The molecular weight of p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)- is 322.06 g/mol.
Where can I buy p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-?
You can request a quote for p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)- 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)-?
Yes, KEHONG BIO provides custom synthesis services for p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.