Butanedioic acid, mono(2-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride
TL;DR: Butanedioic acid, mono(2-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride (CAS 86819-22-9) is a chemical compound with molecular formula C23H29Cl2NO5 and molecular weight 469.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-3-(dimethylamino)propan-2-yl]oxy-4-oxobutanoic acid;hydrochloride
Also Known As: Butanedioic acid, mono(2-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride, 4-[1-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-3-(dimethylamino)p, 4-[1-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-3-(dimethylamino)propan-2-yl]oxy-4-oxobutanoic acid hydrochloride, 4-{[1-{2-[2-(3-Chlorophenyl)ethyl]phenoxy}-3-(dimethylamino)propan-2-yl]oxy}-4-oxobutanoic acid--hydrogen chloride (1/1), RefChem:330610
| Molecular Formula | C23H29Cl2NO5 |
|---|---|
| Molecular Weight | 469.14 g/mol |
| LogP | 4.264 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 469.14227 |
| Heavy Atoms | 31 |
| Complexity | 844.2215 |
Chemical Identifiers
| CAS Number | 86819-22-9 |
|---|---|
| SMILES | CN(C)CC(COC1=CC=CC=C1CCC2=CC(=CC=C2)Cl)OC(=O)CCC(=O)O.Cl |
Product Overview
Butanedioic acid, mono(2-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride (CAS 86819-22-9), with molecular formula C23H29Cl2NO5 and molecular weight 469.14 g/mol. IUPAC: 4-[1-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-3-(dimethylamino)propan-2-yl]oxy-4-oxobutanoic acid;hydrochloride.
Chemical Property Profile of Butanedioic acid, mono(2-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride
Property Insights of Butanedioic acid, mono(2-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride
The XLogP value of 4.264 indicates that Butanedioic acid, mono(2-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, mono(2-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride. Following Lipinski's Rule of Five, Butanedioic acid, mono(2-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanedioic acid, mono(2-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride?
The CAS number of Butanedioic acid, mono(2-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride is 86819-22-9.
What is the molecular formula of Butanedioic acid, mono(2-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride?
The molecular formula of Butanedioic acid, mono(2-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride is C23H29Cl2NO5.
What is the molecular weight of Butanedioic acid, mono(2-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride?
The molecular weight of Butanedioic acid, mono(2-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride is 469.14 g/mol.
Where can I buy Butanedioic acid, mono(2-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride?
You can request a quote for Butanedioic acid, mono(2-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride 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-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, mono(2-(2-(2-(3-chlorophenyl)ethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.