4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone
TL;DR: 4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone (CAS 63979-13-5) is a chemical compound with molecular formula C20H18Cl2N2O and molecular weight 372.07962 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-[bis(2-chloroethyl)amino]phenyl]iminonaphthalen-1-one
Also Known As: 4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone, 4-[4-[bis(2-chloroethyl)amino]phenyl]iminonaphthalen-1-one, 1(4H)-NAPHTHALENONE, 4-(p-BIS(2-CHLOROETHYL)AMINOPHENYL)IMINO-, 1(4H)-Naphthalenone, 4-[[4-[bis(2-chloroethyl)amino]phenyl]imino]-, 4-[p-Bis(2-chloroethyl)aminophenyl]imino-1(4H)-naphthalenone
Technical Specifications
| Molecular Formula | C20H18Cl2N2O |
| Molecular Weight | 372.07962 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.07962 Da |
| Heavy Atoms | 25 |
| Complexity | 506.0 |
| SMILES | C1=CC=C2C(=O)C=CC(=NC3=CC=C(C=C3)N(CCCl)CCCl)C2=C1 |
| InChIKey | AQCJZOGTECVUTC-UHFFFAOYSA-N |
Chemical Property Profile of 4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone
Property Insights of 4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone
The XLogP value of 5.2 indicates that 4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone?
The CAS number of 4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone is 63979-13-5.
What is the molecular formula of 4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone?
The molecular formula of 4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone is C20H18Cl2N2O.
What is the molecular weight of 4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone?
The molecular weight of 4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone is 372.07962 g/mol.
Where can I buy 4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone?
You can request a quote for 4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone?
Yes, CoreyChem provides custom synthesis services for 4-(p-Bis(2-chloroethyl)aminophenyl)imino-1(4H)-naphthalenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.