2-((Bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-1,5-pentanedione hydrochloride
TL;DR: 2-((Bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-1,5-pentanedione hydrochloride (CAS 90816-10-7) is a chemical compound with molecular formula C23H26Cl3NO2 and molecular weight 453.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-chloroethyl)aminomethyl]-4-methylidene-1,5-diphenylpentane-1,5-dione;hydrochloride
Also Known As: 2-((Bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-1,5-pentanedione hydrochloride, 1,5-Pentanedione, 2-((bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-, hydrochloride, 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-diphenyl-1,5-pentanedione hydrochloride, 2-[bis(2-chloroethyl)aminomethyl]-4-methylidene-1,5-diphenylpentane-1,5-dione hydrochloride, 2-{[Bis(2-chloroethyl)amino]methyl}-4-methylidene-1,5-diphenylpentane-1,5-dione--hydrogen chloride (1/1)
| Molecular Formula | C23H26Cl3NO2 |
|---|---|
| Molecular Weight | 453.10 g/mol |
| LogP | 5.5161 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 453.1029 |
| Heavy Atoms | 29 |
| Complexity | 775.2247 |
Chemical Identifiers
| CAS Number | 90816-10-7 |
|---|---|
| SMILES | C=C(CC(CN(CCCl)CCCl)C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2.Cl |
Product Overview
2-((Bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-1,5-pentanedione hydrochloride (CAS 90816-10-7), with molecular formula C23H26Cl3NO2 and molecular weight 453.10 g/mol. IUPAC: 2-[bis(2-chloroethyl)aminomethyl]-4-methylidene-1,5-diphenylpentane-1,5-dione;hydrochloride.
Chemical Property Profile of 2-((Bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-1,5-pentanedione hydrochloride
Property Insights of 2-((Bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-1,5-pentanedione hydrochloride
The XLogP value of 5.5161 indicates that 2-((Bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-1,5-pentanedione hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 2-((Bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-1,5-pentanedione hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-1,5-pentanedione hydrochloride has 0 hydrogen bond donor(s) and 3 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-diphenyl-4-methylene-1,5-pentanedione hydrochloride?
The CAS number of 2-((Bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-1,5-pentanedione hydrochloride is 90816-10-7.
What is the molecular formula of 2-((Bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-1,5-pentanedione hydrochloride?
The molecular formula of 2-((Bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-1,5-pentanedione hydrochloride is C23H26Cl3NO2.
What is the molecular weight of 2-((Bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-1,5-pentanedione hydrochloride?
The molecular weight of 2-((Bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-1,5-pentanedione hydrochloride is 453.10 g/mol.
Where can I buy 2-((Bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-1,5-pentanedione hydrochloride?
You can request a quote for 2-((Bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-1,5-pentanedione hydrochloride 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-diphenyl-4-methylene-1,5-pentanedione hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-((Bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-1,5-pentanedione hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.