RefChem:322880
TL;DR: RefChem:322880 (CAS 104655-23-4) is a chemical compound with molecular formula C21H32Cl3N3O2 and molecular weight 463.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-N-methylaniline;trihydrochloride
Also Known As: Benzenamine, 4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)-N-methyl-, trihydrochloride, hydrate, 4-(3-(4-(2-Methoxyphenyl)-1-piperazinyl)propoxy)-N-methylbenzenamine trihydrochloride hydrate, 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-N-methylaniline trihydrochloride, 4-{3-[4-(2-Methoxyphenyl)piperazin-1-yl]propoxy}-N-methylaniline--hydrogen chloride (1/3), RefChem:322880
| Molecular Formula | C21H32Cl3N3O2 |
|---|---|
| Molecular Weight | 463.16 g/mol |
| LogP | 4.59 |
| Topological Polar Surface Area | 37.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 463.156 |
| Heavy Atoms | 29 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 104655-23-4 |
|---|---|
| SMILES | CNC1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3OC.Cl.Cl.Cl |
| InChIKey | AXFRRAFNZQAHRY-UHFFFAOYSA-N |
Product Overview
RefChem:322880 (CAS 104655-23-4), with molecular formula C21H32Cl3N3O2 and molecular weight 463.16 g/mol. IUPAC: 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-N-methylaniline;trihydrochloride.
Chemical Property Profile of RefChem:322880
Property Insights of RefChem:322880
The XLogP value of 4.59 indicates that RefChem:322880 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.0 Ų, RefChem:322880 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:322880 has 4 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 RefChem:322880?
The CAS number of RefChem:322880 is 104655-23-4.
What is the molecular formula of RefChem:322880?
The molecular formula of RefChem:322880 is C21H32Cl3N3O2.
What is the molecular weight of RefChem:322880?
The molecular weight of RefChem:322880 is 463.16 g/mol.
Where can I buy RefChem:322880?
You can request a quote for RefChem:322880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322880?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.