2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-(pentyloxy)phenyl)-1,5-pentanedione
TL;DR: 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-(pentyloxy)phenyl)-1,5-pentanedione (CAS 101684-65-5) is a chemical compound with molecular formula C33H46Cl3NO4 and molecular weight 625.24927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis(2-chloroethyl)aminomethyl]-4-methylidene-1,5-bis(4-pentoxyphenyl)pentane-1,5-dione;hydrochloride
Also Known As: 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-(pentyloxy)phenyl)-1,5-pentanedione, 1,5-Pentanedione, 2-((bis(2-chloroethyl)amino)methyl)-1,5-bis(p-(pentyloxy)phenyl)-4-methylene-, hydrochloride, 2-[bis(2-chloroethyl)aminomethyl]-4-methylidene-1,5-bis(4-pentoxyphenyl)pentane-1,5-dione hydrochloride, 2-{[Bis(2-chloroethyl)amino]methyl}-4-methylidene-1,5-bis[4-(pentyloxy)phenyl]pentane-1,5-dione--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C33H46Cl3NO4 |
| Molecular Weight | 625.24927 g/mol |
| XLogP | 8.6541 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 22 |
| Exact Mass | 625.24927 Da |
| Heavy Atoms | 41 |
| Complexity | 711.0 |
| SMILES | CCCCCOC1=CC=C(C=C1)C(=O)C(CC(=C)C(=O)C2=CC=C(C=C2)OCCCCC)CN(CCCl)CCCl.Cl |
| InChIKey | ZQCZCVAYWWXMNQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-(pentyloxy)phenyl)-1,5-pentanedione
Property Insights of 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-(pentyloxy)phenyl)-1,5-pentanedione
The XLogP value of 8.6541 indicates that 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-(pentyloxy)phenyl)-1,5-pentanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-(pentyloxy)phenyl)-1,5-pentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-(pentyloxy)phenyl)-1,5-pentanedione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-(pentyloxy)phenyl)-1,5-pentanedione?
The CAS number of 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-(pentyloxy)phenyl)-1,5-pentanedione is 101684-65-5.
What is the molecular formula of 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-(pentyloxy)phenyl)-1,5-pentanedione?
The molecular formula of 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-(pentyloxy)phenyl)-1,5-pentanedione is C33H46Cl3NO4.
What is the molecular weight of 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-(pentyloxy)phenyl)-1,5-pentanedione?
The molecular weight of 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-(pentyloxy)phenyl)-1,5-pentanedione is 625.24927 g/mol.
Where can I buy 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-(pentyloxy)phenyl)-1,5-pentanedione?
You can request a quote for 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-(pentyloxy)phenyl)-1,5-pentanedione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-(pentyloxy)phenyl)-1,5-pentanedione?
Yes, CoreyChem provides custom synthesis services for 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-(pentyloxy)phenyl)-1,5-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.