1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl
TL;DR: 1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl (CAS 131963-02-5) is a chemical compound with molecular formula C21H26Cl2N2O5 and molecular weight 456.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[3-[(3-chlorophenyl)carbamoyloxy]phenyl]-2-[2-(dimethylamino)ethoxy]ethyl] acetate;hydrochloride
Also Known As: 1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl, Carbamic acid, (3-chlorophenyl)-, 3-(1-(acetyloxy)-2-(2-(dimethylamino)ethoxy)ethyl)phenylester, monohydrochloride, [1-[3-[(3-chlorophenyl)carbamoyloxy]phenyl]-2-(2-dimethylaminoethyloxy)ethyl] acetate hydrochloride, 1-(3-{[(3-Chlorophenyl)imino](hydroxy)methoxy}phenyl)-2-[2-(dimethylamino)ethoxy]ethyl acetate--hydrogen chloride (1/1), RefChem:332039
| Molecular Formula | C21H26Cl2N2O5 |
|---|---|
| Molecular Weight | 456.12 g/mol |
| LogP | 4.5551 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.1219 |
| Heavy Atoms | 30 |
| Complexity | 832.54895 |
Chemical Identifiers
| CAS Number | 131963-02-5 |
|---|---|
| SMILES | CC(=O)OC(COCCN(C)C)C1=CC(=CC=C1)OC(=O)NC2=CC(=CC=C2)Cl.Cl |
Product Overview
1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl (CAS 131963-02-5), with molecular formula C21H26Cl2N2O5 and molecular weight 456.12 g/mol. IUPAC: [1-[3-[(3-chlorophenyl)carbamoyloxy]phenyl]-2-[2-(dimethylamino)ethoxy]ethyl] acetate;hydrochloride.
Chemical Property Profile of 1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl
Property Insights of 1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl
The XLogP value of 4.5551 indicates that 1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl. Following Lipinski's Rule of Five, 1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl has 1 hydrogen bond donor(s) and 6 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 1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl?
The CAS number of 1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl is 131963-02-5.
What is the molecular formula of 1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl?
The molecular formula of 1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl is C21H26Cl2N2O5.
What is the molecular weight of 1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl?
The molecular weight of 1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl is 456.12 g/mol.
Where can I buy 1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl?
You can request a quote for 1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(N,N-dimethylamino)ethoxy)ethane HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.