RefChem:331458
TL;DR: RefChem:331458 (CAS 17755-87-2) 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-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one;dihydrochloride
Also Known As: Butyrophenone, 4-(4-(o-methoxyphenyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride, 1-(gamma-(3,4,5-Trimethoxybenzoyl)propyl)-4-(o-methoxyphenyl)piperazine dihydrochloride, 4-(4-(o-Methoxyphenyl)piperazinyl)-3',4',5'-trimethoxybutyrophenone dihydrochloride, Piperazine, 1-(o-methoxyphenyl)-4-(3-(3,4,5-trimethoxybenzoyl)propyl)-, dihydrochloride, 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one dihydrochloride
| Molecular Formula | C24H34Cl2N2O5 |
|---|---|
| Molecular Weight | 500.18 g/mol |
| LogP | 4.35 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 500.18448 |
| Heavy Atoms | 33 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 17755-87-2 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)CCCC(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl.Cl |
| InChIKey | NTMKOTTUDFUYRA-UHFFFAOYSA-N |
Product Overview
RefChem:331458 (CAS 17755-87-2), with molecular formula C24H34Cl2N2O5 and molecular weight 500.18 g/mol. IUPAC: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one;dihydrochloride.
Chemical Property Profile of RefChem:331458
Property Insights of RefChem:331458
The XLogP value of 4.35 indicates that RefChem:331458 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:331458. Following Lipinski's Rule of Five, RefChem:331458 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:331458?
The CAS number of RefChem:331458 is 17755-87-2.
What is the molecular formula of RefChem:331458?
The molecular formula of RefChem:331458 is C24H34Cl2N2O5.
What is the molecular weight of RefChem:331458?
The molecular weight of RefChem:331458 is 500.18 g/mol.
Where can I buy RefChem:331458?
You can request a quote for RefChem:331458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331458?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.