C33H36N2O2.2ClH.1/2H2O
TL;DR: C33H36N2O2.2ClH.1/2H2O (CAS 79333-05-4) is a chemical compound with molecular formula C33H38Cl2N2O2 and molecular weight 564.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-[3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine;dihydrochloride
Also Known As: C33H36N2O2.2ClH.1/2H2O, 1-(Phenylmethyl)-4-(3-phenyl-3-(2-(phenylmethoxy)phenoxy)propyl)piperazine 2HCl hemihydrate, C33-H36-N2-O2.2Cl-H.1/2H2-O, Piperazine, 1-(phenylmethyl)-4-(3-phenyl-3-(2-(phenylmethoxy)phenoxy)propyl)-, hydrochloride,hydrate (2:4:1), 1-benzyl-4-[3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine dihydrochloride
| Molecular Formula | C33H38Cl2N2O2 |
|---|---|
| Molecular Weight | 564.23 g/mol |
| LogP | 7.4372 |
| Topological Polar Surface Area | 24.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 564.231 |
| Heavy Atoms | 39 |
| Complexity | 1204.0837 |
Chemical Identifiers
| CAS Number | 79333-05-4 |
|---|---|
| SMILES | C1CN(CCN1CCC(C2=CC=CC=C2)OC3=CC=CC=C3OCC4=CC=CC=C4)CC5=CC=CC=C5.Cl.Cl |
Product Overview
C33H36N2O2.2ClH.1/2H2O (CAS 79333-05-4), with molecular formula C33H38Cl2N2O2 and molecular weight 564.23 g/mol. IUPAC: 1-benzyl-4-[3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine;dihydrochloride.
Chemical Property Profile of C33H36N2O2.2ClH.1/2H2O
Property Insights of C33H36N2O2.2ClH.1/2H2O
The XLogP value of 7.4372 indicates that C33H36N2O2.2ClH.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, C33H36N2O2.2ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C33H36N2O2.2ClH.1/2H2O has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C33H36N2O2.2ClH.1/2H2O?
The CAS number of C33H36N2O2.2ClH.1/2H2O is 79333-05-4.
What is the molecular formula of C33H36N2O2.2ClH.1/2H2O?
The molecular formula of C33H36N2O2.2ClH.1/2H2O is C33H38Cl2N2O2.
What is the molecular weight of C33H36N2O2.2ClH.1/2H2O?
The molecular weight of C33H36N2O2.2ClH.1/2H2O is 564.23 g/mol.
Where can I buy C33H36N2O2.2ClH.1/2H2O?
You can request a quote for C33H36N2O2.2ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C33H36N2O2.2ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C33H36N2O2.2ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.