RefChem:327007
TL;DR: RefChem:327007 (CAS 5914-66-9) is a chemical compound with molecular formula C24H34Cl2N2O5 and molecular weight 500.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-phenylpiperazin-1-yl)butyl 3,4,5-trimethoxybenzoate;dihydrochloride
Also Known As: MA 568, Benzoic acid, 3,4,5-trimethoxy-, 4-(4-phenyl-1-piperazinyl)butyl ester, dihydrochloride, 4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate dihydrochloride, 3,4,5-Trimethoxybenzoic acid 4-(4-phenyl-1-piperazinyl)butyl ester dihydrochloride, 4-(4-phenylpiperazin-1-yl)butyl 3,4,5-trimethoxybenzoate dihydrochloride
| Molecular Formula | C24H34Cl2N2O5 |
|---|---|
| Molecular Weight | 500.18 g/mol |
| LogP | 4.32 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 500.18448 |
| Heavy Atoms | 33 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 5914-66-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCN2CCN(CC2)C3=CC=CC=C3.Cl.Cl |
| InChIKey | WYVCERJDNQGFIK-UHFFFAOYSA-N |
Product Overview
RefChem:327007 (CAS 5914-66-9), with molecular formula C24H34Cl2N2O5 and molecular weight 500.18 g/mol. IUPAC: 4-(4-phenylpiperazin-1-yl)butyl 3,4,5-trimethoxybenzoate;dihydrochloride.
Chemical Property Profile of RefChem:327007
Property Insights of RefChem:327007
The XLogP value of 4.32 indicates that RefChem:327007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327007. Following Lipinski's Rule of Five, RefChem:327007 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:327007?
The CAS number of RefChem:327007 is 5914-66-9.
What is the molecular formula of RefChem:327007?
The molecular formula of RefChem:327007 is C24H34Cl2N2O5.
What is the molecular weight of RefChem:327007?
The molecular weight of RefChem:327007 is 500.18 g/mol.
Where can I buy RefChem:327007?
You can request a quote for RefChem:327007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327007?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.