Phthalmustine
TL;DR: Phthalmustine (CAS 156250-83-8) is a chemical compound with molecular formula C14H16Cl2N2O2 and molecular weight 314.05887 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[bis(2-chloroethyl)amino]ethyl]isoindole-1,3-dione
Also Known As: Phthalmustine, N,N-Bis(2-chloroethyl)-2-phthalimidoethylamine, 2-[2-[bis(2-chloroethyl)amino]ethyl]isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 2-(2-(bis(2-chloroethyl)amino)ethyl)-, 2-{2-[bis(2-chloroethyl)amino]ethyl}-1H-isoindole-1,3(2H)-dione
Technical Specifications
| Molecular Formula | C14H16Cl2N2O2 |
| Molecular Weight | 314.05887 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.05887 Da |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCN(CCCl)CCCl |
| InChIKey | WBSOXOXZQOTHHV-UHFFFAOYSA-N |
Chemical Property Profile of Phthalmustine
Property Insights of Phthalmustine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalmustine. With a topological polar surface area (TPSA) of 40.6 Ų, Phthalmustine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthalmustine 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
What is the CAS number of Phthalmustine?
The CAS number of Phthalmustine is 156250-83-8.
What is the molecular formula of Phthalmustine?
The molecular formula of Phthalmustine is C14H16Cl2N2O2.
What is the molecular weight of Phthalmustine?
The molecular weight of Phthalmustine is 314.05887 g/mol.
Where can I buy Phthalmustine?
You can request a quote for Phthalmustine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phthalmustine?
Yes, CoreyChem provides custom synthesis services for Phthalmustine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.