Pitofenone
TL;DR: Pitofenone (CAS 54063-52-4) is a chemical compound with molecular formula C22H25NO4 and molecular weight 367.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate
Also Known As: Pitofenone, Pitofenona, Pitofenonum, PITOFENONE HCL, pitophenon
| Molecular Formula | C22H25NO4 |
|---|---|
| Molecular Weight | 367.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 367.17834 |
| Heavy Atoms | 27 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 54063-52-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)OCCN3CCCCC3 |
| InChIKey | NZHMAQSCHUSSSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pitofenone (CAS 54063-52-4), with molecular formula C22H25NO4 and molecular weight 367.18 g/mol. IUPAC: methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate.
Chemical Property Profile of Pitofenone
Property Insights of Pitofenone
The XLogP value of 4.0 indicates that Pitofenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Pitofenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pitofenone has 0 hydrogen bond donor(s) and 5 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 Pitofenone?
The CAS number of Pitofenone is 54063-52-4.
What is the molecular formula of Pitofenone?
The molecular formula of Pitofenone is C22H25NO4.
What is the molecular weight of Pitofenone?
The molecular weight of Pitofenone is 367.18 g/mol.
Where can I buy Pitofenone?
You can request a quote for Pitofenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pitofenone?
Yes, KEHONG BIO provides custom synthesis services for Pitofenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.