penten-3-one,5-1-,dihydrochloride
TL;DR: penten-3-one,5-1-,dihydrochloride (CAS 37151-45-4) is a chemical compound with molecular formula C26H36Cl2N2O4 and molecular weight 510.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(2-phenylethyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one;dihydrochloride
Also Known As: penten-3-one,5-1-,dihydrochloride
| Molecular Formula | C26H36Cl2N2O4 |
|---|---|
| Molecular Weight | 510.21 g/mol |
| LogP | 4.3887 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 510.2052 |
| Heavy Atoms | 34 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 37151-45-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C=CC(=O)CCN2CCN(CC2)CCC3=CC=CC=C3.Cl.Cl |
| InChIKey | FHRIDUNQMHKUNM-UHFFFAOYSA-N |
Product Overview
penten-3-one,5-1-,dihydrochloride (CAS 37151-45-4), with molecular formula C26H36Cl2N2O4 and molecular weight 510.21 g/mol. IUPAC: 5-[4-(2-phenylethyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one;dihydrochloride.
Chemical Property Profile of penten-3-one,5-1-,dihydrochloride
Property Insights of penten-3-one,5-1-,dihydrochloride
The XLogP value of 4.3887 indicates that penten-3-one,5-1-,dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, penten-3-one,5-1-,dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, penten-3-one,5-1-,dihydrochloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of penten-3-one,5-1-,dihydrochloride?
The CAS number of penten-3-one,5-1-,dihydrochloride is 37151-45-4.
What is the molecular formula of penten-3-one,5-1-,dihydrochloride?
The molecular formula of penten-3-one,5-1-,dihydrochloride is C26H36Cl2N2O4.
What is the molecular weight of penten-3-one,5-1-,dihydrochloride?
The molecular weight of penten-3-one,5-1-,dihydrochloride is 510.21 g/mol.
Where can I buy penten-3-one,5-1-,dihydrochloride?
You can request a quote for penten-3-one,5-1-,dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for penten-3-one,5-1-,dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for penten-3-one,5-1-,dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.