2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl
TL;DR: 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl (CAS 101684-63-3) is a chemical compound with molecular formula C31H42Cl3NO4 and molecular weight 597.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylidenepentane-1,5-dione;hydrochloride
Also Known As: 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl, 1,5-Pentanedione, 1,5-bis(4-butoxyphenyl)-2-((bis(2-chloroethyl)amino)methyl)-4-methylene-, hydrochloride, 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylidenepentane-1,5-dione hydrochloride, 2-{[Bis(2-chloroethyl)amino]methyl}-1,5-bis(4-butoxyphenyl)-4-methylidenepentane-1,5-dione--hydrogen chloride (1/1), RefChem:221439
| Molecular Formula | C31H42Cl3NO4 |
|---|---|
| Molecular Weight | 597.22 g/mol |
| LogP | 7.8739 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 20 |
| Exact Mass | 597.21796 |
| Heavy Atoms | 39 |
| Complexity | 989.89856 |
Chemical Identifiers
| CAS Number | 101684-63-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)C(CC(=C)C(=O)C2=CC=C(C=C2)OCCCC)CN(CCCl)CCCl.Cl |
Product Overview
2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl (CAS 101684-63-3), with molecular formula C31H42Cl3NO4 and molecular weight 597.22 g/mol. IUPAC: 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylidenepentane-1,5-dione;hydrochloride.
Chemical Property Profile of 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl
Property Insights of 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl
The XLogP value of 7.8739 indicates that 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl?
The CAS number of 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl is 101684-63-3.
What is the molecular formula of 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl?
The molecular formula of 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl is C31H42Cl3NO4.
What is the molecular weight of 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl?
The molecular weight of 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl is 597.22 g/mol.
Where can I buy 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl?
You can request a quote for 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl?
Yes, KEHONG BIO provides custom synthesis services for 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.