RefChem:1056977
TL;DR: RefChem:1056977 (CAS 33304-33-5) is a chemical compound with molecular formula C22H28Cl2N2O4 and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride
Also Known As: Propiophenone, 3-(4-(m-chlorophenyl)-1-piperazinyl)-3',4',5'-trimethoxy-, monohydrochloride, 3-(4-(m-Chlorophenyl)-1-piperazinyl)-3',4',5'-trimethoxypropiophenone hydrochloride, 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride(1:1), 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride, 1-Propanone, 3-(4-(3-chlorophenyl)-1-piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, hydrochloride (1:1)
| Molecular Formula | C22H28Cl2N2O4 |
|---|---|
| Molecular Weight | 454.14 g/mol |
| LogP | 4.1826 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.1426 |
| Heavy Atoms | 30 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 33304-33-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)C3=CC(=CC=C3)Cl.Cl |
| InChIKey | SCFIIZGOSXUSCD-UHFFFAOYSA-N |
Product Overview
RefChem:1056977 (CAS 33304-33-5), with molecular formula C22H28Cl2N2O4 and molecular weight 454.14 g/mol. IUPAC: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride.
Chemical Property Profile of RefChem:1056977
Property Insights of RefChem:1056977
The XLogP value of 4.1826 indicates that RefChem:1056977 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, RefChem:1056977 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056977 has 1 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:1056977?
The CAS number of RefChem:1056977 is 33304-33-5.
What is the molecular formula of RefChem:1056977?
The molecular formula of RefChem:1056977 is C22H28Cl2N2O4.
What is the molecular weight of RefChem:1056977?
The molecular weight of RefChem:1056977 is 454.14 g/mol.
Where can I buy RefChem:1056977?
You can request a quote for RefChem:1056977 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056977?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056977 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.