4-(Bis(2-chloroethyl)amino)-N-(4-(4-quinolinylamino)phenyl)benzamide monohydrochloride
TL;DR: 4-(Bis(2-chloroethyl)amino)-N-(4-(4-quinolinylamino)phenyl)benzamide monohydrochloride (CAS 133041-57-3) is a chemical compound with molecular formula C26H25Cl3N4O and molecular weight 514.1094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[bis(2-chloroethyl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide;hydrochloride
Also Known As: 4-(Bis(2-chloroethyl)amino)-N-(4-(4-quinolinylamino)phenyl)benzamide monohydrochloride, 4-[bis(2-chloroethyl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide;hydrochloride, 2-[2-(5-Bromo-1H-indol-3-yl)ethyl]-3-[3-(1-methylethoxy )phenyl]-4-(3H)-quinazolinone, 4-[bis(2-chloroethyl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide hydrochloride, 4-[bis(2-chloroethyl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide,hydrochloride
Technical Specifications
| Molecular Formula | C26H25Cl3N4O |
| Molecular Weight | 514.1094 g/mol |
| XLogP | 6.9365 |
| Topological Polar Surface Area (TPSA) | 57.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 514.1094 Da |
| Heavy Atoms | 34 |
| Complexity | 587.0 |
| SMILES | C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N(CCCl)CCCl.Cl |
| InChIKey | RWJMMDIEMLXJER-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Bis(2-chloroethyl)amino)-N-(4-(4-quinolinylamino)phenyl)benzamide monohydrochloride
Property Insights of 4-(Bis(2-chloroethyl)amino)-N-(4-(4-quinolinylamino)phenyl)benzamide monohydrochloride
The XLogP value of 6.9365 indicates that 4-(Bis(2-chloroethyl)amino)-N-(4-(4-quinolinylamino)phenyl)benzamide monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.3 Ų, 4-(Bis(2-chloroethyl)amino)-N-(4-(4-quinolinylamino)phenyl)benzamide monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Bis(2-chloroethyl)amino)-N-(4-(4-quinolinylamino)phenyl)benzamide monohydrochloride has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(Bis(2-chloroethyl)amino)-N-(4-(4-quinolinylamino)phenyl)benzamide monohydrochloride?
The CAS number of 4-(Bis(2-chloroethyl)amino)-N-(4-(4-quinolinylamino)phenyl)benzamide monohydrochloride is 133041-57-3.
What is the molecular formula of 4-(Bis(2-chloroethyl)amino)-N-(4-(4-quinolinylamino)phenyl)benzamide monohydrochloride?
The molecular formula of 4-(Bis(2-chloroethyl)amino)-N-(4-(4-quinolinylamino)phenyl)benzamide monohydrochloride is C26H25Cl3N4O.
What is the molecular weight of 4-(Bis(2-chloroethyl)amino)-N-(4-(4-quinolinylamino)phenyl)benzamide monohydrochloride?
The molecular weight of 4-(Bis(2-chloroethyl)amino)-N-(4-(4-quinolinylamino)phenyl)benzamide monohydrochloride is 514.1094 g/mol.
Where can I buy 4-(Bis(2-chloroethyl)amino)-N-(4-(4-quinolinylamino)phenyl)benzamide monohydrochloride?
You can request a quote for 4-(Bis(2-chloroethyl)amino)-N-(4-(4-quinolinylamino)phenyl)benzamide monohydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Bis(2-chloroethyl)amino)-N-(4-(4-quinolinylamino)phenyl)benzamide monohydrochloride?
Yes, CoreyChem provides custom synthesis services for 4-(Bis(2-chloroethyl)amino)-N-(4-(4-quinolinylamino)phenyl)benzamide monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.