RefChem:340834
TL;DR: RefChem:340834 (CAS 20541-83-7) is a chemical compound with molecular formula C31H39Cl3N2O6 and molecular weight 640.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethyl 3,4,5-trimethoxybenzoate;dihydrochloride
Also Known As: SAS 521, Ethanol, 2-(2-(4-(p-chloro-alpha-phenylbenzyl)-1-piperazinyl)ethoxy)-, 3,4,5-trimethoxybenzoate, dihydrochloride, 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethyl 3,4,5-trimethoxybenzoate dihydrochloride, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]piperazin-1-yl]ethoxy]ethyl 3,4,5-trimethoxybenzoate dihydrochloride, 2-(2-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/2)
| Molecular Formula | C31H39Cl3N2O6 |
|---|---|
| Molecular Weight | 640.19 g/mol |
| LogP | 5.79 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 640.1874 |
| Heavy Atoms | 42 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 20541-83-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCOCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl.Cl |
| InChIKey | VVQAGLMWVDPLLF-UHFFFAOYSA-N |
Product Overview
RefChem:340834 (CAS 20541-83-7), with molecular formula C31H39Cl3N2O6 and molecular weight 640.19 g/mol. IUPAC: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethyl 3,4,5-trimethoxybenzoate;dihydrochloride.
Chemical Property Profile of RefChem:340834
Property Insights of RefChem:340834
The XLogP value of 5.79 indicates that RefChem:340834 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:340834. Following Lipinski's Rule of Five, RefChem:340834 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:340834?
The CAS number of RefChem:340834 is 20541-83-7.
What is the molecular formula of RefChem:340834?
The molecular formula of RefChem:340834 is C31H39Cl3N2O6.
What is the molecular weight of RefChem:340834?
The molecular weight of RefChem:340834 is 640.19 g/mol.
Where can I buy RefChem:340834?
You can request a quote for RefChem:340834 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:340834?
Yes, KEHONG BIO provides custom synthesis services for RefChem:340834 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.