RefChem:335585
TL;DR: RefChem:335585 (CAS 101564-42-5) is a chemical compound with molecular formula C25H31ClN2O4 and molecular weight 458.19724 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methoxybenzoyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one;hydrochloride
Also Known As: 2-(p-Methoxybenzoyl)-6-(4-(o-methoxyphenyl)-1-piperazinyl)cyclohexanone hydrochloride, Cyclohexanone, 2-(p-methoxybenzoyl)-6-(4-(o-methoxyphenyl)-1-piperazinyl)-, hydrochloride, 2-(4-methoxybenzoyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one hydrochloride, 2-(4-Methoxybenzoyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C25H31ClN2O4 |
| Molecular Weight | 458.19724 g/mol |
| XLogP | 3.8683 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.19724 Da |
| Heavy Atoms | 32 |
| Complexity | 611.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)C2CCCC(C2=O)N3CCN(CC3)C4=CC=CC=C4OC.Cl |
| InChIKey | PIFOLPWBJQBVRW-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:335585
Property Insights of RefChem:335585
The XLogP value of 3.8683 indicates that RefChem:335585 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, RefChem:335585 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:335585 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
What is the CAS number of RefChem:335585?
The CAS number of RefChem:335585 is 101564-42-5.
What is the molecular formula of RefChem:335585?
The molecular formula of RefChem:335585 is C25H31ClN2O4.
What is the molecular weight of RefChem:335585?
The molecular weight of RefChem:335585 is 458.19724 g/mol.
Where can I buy RefChem:335585?
You can request a quote for RefChem:335585 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:335585?
Yes, CoreyChem provides custom synthesis services for RefChem:335585 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.