Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride
TL;DR: Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride (CAS 86819-19-4) is a chemical compound with molecular formula C25H36Cl2N2O5 and molecular weight 514.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(dimethylamino)-3-[2-[2-[4-(dimethylamino)phenyl]ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;dihydrochloride
Also Known As: Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride, Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4-(dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride, 4-[1-(dimethylamino)-3-[2-[2-(4-dimethylaminophenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid dihydrochloride, 4-[1-dimethylamino-3-[2-[2- ethyl]phenoxy]propan-2-yl]oxy-4-oxo-butanoicaciddihydrochloride, 4-{[1-(Dimethylamino)-3-(2-{2-[4-(dimethylamino)phenyl]ethyl}phenoxy)propan-2-yl]oxy}-4-oxobutanoic acid--hydrogen chloride (1/2)
| Molecular Formula | C25H36Cl2N2O5 |
|---|---|
| Molecular Weight | 514.20 g/mol |
| LogP | 4.0984 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 514.20013 |
| Heavy Atoms | 34 |
| Complexity | 875.8646 |
Chemical Identifiers
| CAS Number | 86819-19-4 |
|---|---|
| SMILES | CN(C)CC(COC1=CC=CC=C1CCC2=CC=C(C=C2)N(C)C)OC(=O)CCC(=O)O.Cl.Cl |
Product Overview
Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride (CAS 86819-19-4), with molecular formula C25H36Cl2N2O5 and molecular weight 514.20 g/mol. IUPAC: 4-[1-(dimethylamino)-3-[2-[2-[4-(dimethylamino)phenyl]ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;dihydrochloride.
Chemical Property Profile of Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride
Property Insights of Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride
The XLogP value of 4.0984 indicates that Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride. Following Lipinski's Rule of Five, Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride?
The CAS number of Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride is 86819-19-4.
What is the molecular formula of Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride?
The molecular formula of Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride is C25H36Cl2N2O5.
What is the molecular weight of Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride?
The molecular weight of Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride is 514.20 g/mol.
Where can I buy Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride?
You can request a quote for Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(4- (dimethylamino)phenyl)ethyl)phenoxy)methyl)ethyl) ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.