RefChem:322879
TL;DR: RefChem:322879 (CAS 104655-21-2) is a chemical compound with molecular formula C23H36Cl3N3O2 and molecular weight 491.19 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-propan-2-ylaniline;trihydrochloride
Also Known As: Benzenamine, 4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)-N-(1-methylethyl)-, trihydrochloride, 4-(3-(4-(2-Methoxyphenyl)-1-piperazinyl)propoxy)-N-(1-methylethyl)benzenamine trihydrochloride, 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-N-propan-2-ylaniline trihydrochloride, 4-{3-[4-(2-Methoxyphenyl)piperazin-1-yl]propoxy}-N-(propan-2-yl)aniline--hydrogen chloride (1/3), RefChem:322879
| Molecular Formula | C23H36Cl3N3O2 |
|---|---|
| Molecular Weight | 491.19 g/mol |
| LogP | 5.37 |
| Topological Polar Surface Area | 37.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 491.18732 |
| Heavy Atoms | 31 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 104655-21-2 |
|---|---|
| SMILES | CC(C)NC1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3OC.Cl.Cl.Cl |
| InChIKey | LNFPEMBWXWSRAT-UHFFFAOYSA-N |
Product Overview
RefChem:322879 (CAS 104655-21-2), with molecular formula C23H36Cl3N3O2 and molecular weight 491.19 g/mol. IUPAC: 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-N-propan-2-ylaniline;trihydrochloride.
Chemical Property Profile of RefChem:322879
Property Insights of RefChem:322879
The XLogP value of 5.37 indicates that RefChem:322879 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:322879 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:322879 has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:322879?
The CAS number of RefChem:322879 is 104655-21-2.
What is the molecular formula of RefChem:322879?
The molecular formula of RefChem:322879 is C23H36Cl3N3O2.
What is the molecular weight of RefChem:322879?
The molecular weight of RefChem:322879 is 491.19 g/mol.
Where can I buy RefChem:322879?
You can request a quote for RefChem:322879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322879?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.