Pnu 96415E
TL;DR: Pnu 96415E (CAS 170856-41-4) is a chemical compound with molecular formula C21H27Cl2FN2O and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(4-fluorophenyl)piperazine;dihydrochloride
Also Known As: 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(4-fluorophenyl)piperazine;dihydrochloride, 1-(4-Fluorophenyl)-4-(2-(isochroman-1-yl)ethyl)piperazine dihydrochloride, 1-[2-(3,4-DIHYDRO-1H-2-BENZOPYRAN-1-YL)ETHYL]-4-(4-FLUOROPHENYL)PIPERAZINE DIHYDROCHLORIDE, 1-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-4-(4-fluorophenyl)piperazinedihydrochloride, 1-(4-Fluorophenyl)-4-(2-(isochroman-1-yl)ethyl)piperazinedihydrochloride
| Molecular Formula | C21H27Cl2FN2O |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | 4.4954 |
| Topological Polar Surface Area | 15.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.14844 |
| Heavy Atoms | 27 |
| Complexity | 705.5827 |
Chemical Identifiers
| CAS Number | 170856-41-4 |
|---|---|
| SMILES | C1COC(C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=C(C=C4)F.Cl.Cl |
Product Overview
Pnu 96415E (CAS 170856-41-4), with molecular formula C21H27Cl2FN2O and molecular weight 412.15 g/mol. IUPAC: 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(4-fluorophenyl)piperazine;dihydrochloride.
Chemical Property Profile of Pnu 96415E
Property Insights of Pnu 96415E
The XLogP value of 4.4954 indicates that Pnu 96415E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.71 Ų, Pnu 96415E exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pnu 96415E has 0 hydrogen bond donor(s) and 3 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 Pnu 96415E?
The CAS number of Pnu 96415E is 170856-41-4.
What is the molecular formula of Pnu 96415E?
The molecular formula of Pnu 96415E is C21H27Cl2FN2O.
What is the molecular weight of Pnu 96415E?
The molecular weight of Pnu 96415E is 412.15 g/mol.
Where can I buy Pnu 96415E?
You can request a quote for Pnu 96415E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pnu 96415E?
Yes, KEHONG BIO provides custom synthesis services for Pnu 96415E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.