C21H28N2O2.2ClH.1/2H2O
TL;DR: C21H28N2O2.2ClH.1/2H2O (CAS 79333-00-9) is a chemical compound with molecular formula C21H30Cl2N2O2 and molecular weight 412.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-methoxyphenoxy)-3-phenylpropyl]-4-methylpiperazine;dihydrochloride
Also Known As: C21H28N2O2.2ClH.1/2H2O, 1-(3-(2-Methoxyphenoxy)-3-phenylpropyl)-4-methylpiperazine dihydrochloride hemihydrate, C21-H28-N2-O2.2Cl-H.1/2H2-O, Piperazine, 1-(3-(2-methoxyphenoxy)-3-phenylpropyl)-4-methyl-, hydrochloride, hydrate (2:4:1), 1-[3-(2-methoxyphenoxy)-3-phenylpropyl]-4-methylpiperazine dihydrochloride
| Molecular Formula | C21H30Cl2N2O2 |
|---|---|
| Molecular Weight | 412.17 g/mol |
| LogP | 4.2964 |
| Topological Polar Surface Area | 24.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.16843 |
| Heavy Atoms | 27 |
| Complexity | 649.6397 |
Chemical Identifiers
| CAS Number | 79333-00-9 |
|---|---|
| SMILES | CN1CCN(CC1)CCC(C2=CC=CC=C2)OC3=CC=CC=C3OC.Cl.Cl |
Product Overview
C21H28N2O2.2ClH.1/2H2O (CAS 79333-00-9), with molecular formula C21H30Cl2N2O2 and molecular weight 412.17 g/mol. IUPAC: 1-[3-(2-methoxyphenoxy)-3-phenylpropyl]-4-methylpiperazine;dihydrochloride.
Chemical Property Profile of C21H28N2O2.2ClH.1/2H2O
Property Insights of C21H28N2O2.2ClH.1/2H2O
The XLogP value of 4.2964 indicates that C21H28N2O2.2ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.94 Ų, C21H28N2O2.2ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H28N2O2.2ClH.1/2H2O has 0 hydrogen bond donor(s) and 4 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 C21H28N2O2.2ClH.1/2H2O?
The CAS number of C21H28N2O2.2ClH.1/2H2O is 79333-00-9.
What is the molecular formula of C21H28N2O2.2ClH.1/2H2O?
The molecular formula of C21H28N2O2.2ClH.1/2H2O is C21H30Cl2N2O2.
What is the molecular weight of C21H28N2O2.2ClH.1/2H2O?
The molecular weight of C21H28N2O2.2ClH.1/2H2O is 412.17 g/mol.
Where can I buy C21H28N2O2.2ClH.1/2H2O?
You can request a quote for C21H28N2O2.2ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H28N2O2.2ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C21H28N2O2.2ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.