RefChem:1094550
TL;DR: RefChem:1094550 (CAS 37151-49-8) is a chemical compound with molecular formula C25H33ClN2O4 and molecular weight 460.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-5-[4-(2-methylphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one;hydrochloride
Also Known As: Piperazine, 1-o-tolyl-4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)-, hydrochloride, Penten-3-one, 5-(4-(o-tolyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, hydrochloride, (E)-5-[4-(2-methylphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one hydrochloride, 1-Penten-3-one, 5-[4-(2-methylphenyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-, monohydrochloride, RefChem:1094550
| Molecular Formula | C25H33ClN2O4 |
|---|---|
| Molecular Weight | 460.21 g/mol |
| LogP | 4.23722 |
| Topological Polar Surface Area | 51.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 460.2129 |
| Heavy Atoms | 32 |
| Complexity | 898.9031 |
Chemical Identifiers
| CAS Number | 37151-49-8 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)CCC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC.Cl |
Product Overview
RefChem:1094550 (CAS 37151-49-8), with molecular formula C25H33ClN2O4 and molecular weight 460.21 g/mol. IUPAC: (E)-5-[4-(2-methylphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one;hydrochloride.
Chemical Property Profile of RefChem:1094550
Property Insights of RefChem:1094550
The XLogP value of 4.23722 indicates that RefChem:1094550 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.24 Ų, RefChem:1094550 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1094550 has 0 hydrogen bond donor(s) and 6 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 RefChem:1094550?
The CAS number of RefChem:1094550 is 37151-49-8.
What is the molecular formula of RefChem:1094550?
The molecular formula of RefChem:1094550 is C25H33ClN2O4.
What is the molecular weight of RefChem:1094550?
The molecular weight of RefChem:1094550 is 460.21 g/mol.
Where can I buy RefChem:1094550?
You can request a quote for RefChem:1094550 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1094550?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1094550 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.