Pitofenone hydrochloride
TL;DR: Pitofenone hydrochloride (CAS 1248-42-6) is a chemical compound with molecular formula C22H26ClNO4 and molecular weight 403.15503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate;hydrochloride
Also Known As: Pitofenone hydrochloride, Baralginketone, Bulgarketone, Pitofenone, Baralgin
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H26ClNO4 |
| Molecular Weight | 403.15503 g/mol |
| XLogP | 3.99 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.15503 Da |
| Heavy Atoms | 28 |
| Complexity | 481.0 |
| SMILES | COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)OCCN3CCCCC3.Cl |
| InChIKey | ZRFIFDFEDPJBII-UHFFFAOYSA-N |
Chemical Property Profile of Pitofenone hydrochloride
Property Insights of Pitofenone hydrochloride
The XLogP value of 3.99 indicates that Pitofenone hydrochloride 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 hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pitofenone hydrochloride has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pitofenone hydrochloride?
The CAS number of Pitofenone hydrochloride is 1248-42-6.
What is the molecular formula of Pitofenone hydrochloride?
The molecular formula of Pitofenone hydrochloride is C22H26ClNO4.
What is the molecular weight of Pitofenone hydrochloride?
The molecular weight of Pitofenone hydrochloride is 403.15503 g/mol.
Where can I buy Pitofenone hydrochloride?
You can request a quote for Pitofenone hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pitofenone hydrochloride?
Yes, CoreyChem provides custom synthesis services for Pitofenone hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.