4-(4-(bis(2-chloroethyl)amino)phenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione
TL;DR: 4-(4-(bis(2-chloroethyl)amino)phenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione (CAS 128839-41-8) is a chemical compound with molecular formula C21H26Cl2N2O2 and molecular weight 408.13715 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-[bis(2-chloroethyl)amino]phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
Also Known As: 4-(4-(bis(2-chloroethyl)amino)phenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione, 4-[4-[bis(2-chloroethyl)amino]phenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione, 4-{4-[bis(2-chloroethyl)amino]phenyl}-2-hydroxy-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-5(3H)-one, 4-{4-[bis(2-chloroethyl)amino]phenyl}-7,7-dimethyl-1,3,4,6,7,8-hexahydroquinol ine-2,5-dione
Technical Specifications
| Molecular Formula | C21H26Cl2N2O2 |
| Molecular Weight | 408.13715 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.13715 Da |
| Heavy Atoms | 27 |
| Complexity | 603.0 |
| SMILES | CC1(CC2=C(C(CC(=O)N2)C3=CC=C(C=C3)N(CCCl)CCCl)C(=O)C1)C |
| InChIKey | VAIWEIABUOKEMT-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-(bis(2-chloroethyl)amino)phenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione
Property Insights of 4-(4-(bis(2-chloroethyl)amino)phenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione
The XLogP value of 3.4 indicates that 4-(4-(bis(2-chloroethyl)amino)phenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, 4-(4-(bis(2-chloroethyl)amino)phenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-(bis(2-chloroethyl)amino)phenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(4-(bis(2-chloroethyl)amino)phenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione?
The CAS number of 4-(4-(bis(2-chloroethyl)amino)phenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione is 128839-41-8.
What is the molecular formula of 4-(4-(bis(2-chloroethyl)amino)phenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione?
The molecular formula of 4-(4-(bis(2-chloroethyl)amino)phenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione is C21H26Cl2N2O2.
What is the molecular weight of 4-(4-(bis(2-chloroethyl)amino)phenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione?
The molecular weight of 4-(4-(bis(2-chloroethyl)amino)phenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione is 408.13715 g/mol.
Where can I buy 4-(4-(bis(2-chloroethyl)amino)phenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione?
You can request a quote for 4-(4-(bis(2-chloroethyl)amino)phenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-(bis(2-chloroethyl)amino)phenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione?
Yes, CoreyChem provides custom synthesis services for 4-(4-(bis(2-chloroethyl)amino)phenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.