RefChem:198530
TL;DR: RefChem:198530 (CAS 110406-61-6) is a chemical compound with molecular formula C29H30ClF2N3O and molecular weight 509.20456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-fluorophenyl)methyl]-2-[1-[3-(4-fluorophenyl)propyl]piperidin-4-yl]phthalazin-1-one;hydrochloride
Also Known As: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(4-fluorophenyl)propyl)-4-piperidinyl-, monohydrochloride, 4-((4-Fluorophenyl)methyl)-2-(1-(3-(4-fluorophenyl)-propyl)-4-piperidinyl)-1(2H)-phthalazinone hydrochloride, 4-[(4-fluorophenyl)methyl]-2-[1-[3-(4-fluorophenyl)propyl]piperidin-4-yl]phthalazin-1-one hydrochloride, 4-[(4-fluorophenyl)methyl]-2-[1-[3-(4-fluorophenyl)propyl]piperidin-4-yl]phthalazin-1-one;hydrochloride, 4-((4-FLUOROPHENYL)METHYL)-2-(1-(3-(4-FLUOROPHENYL)-PROPYL)-4-PIPERIDINYL)- 1(2H
Technical Specifications
| Molecular Formula | C29H30ClF2N3O |
| Molecular Weight | 509.20456 g/mol |
| XLogP | 5.96 |
| Topological Polar Surface Area (TPSA) | 35.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.20456 Da |
| Heavy Atoms | 36 |
| Complexity | 721.0 |
| SMILES | C1CN(CCC1N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)F)CCCC5=CC=C(C=C5)F.Cl |
| InChIKey | XMQKPFULKZHAED-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:198530
Property Insights of RefChem:198530
The XLogP value of 5.96 indicates that RefChem:198530 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.9 Ų, RefChem:198530 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:198530 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:198530?
The CAS number of RefChem:198530 is 110406-61-6.
What is the molecular formula of RefChem:198530?
The molecular formula of RefChem:198530 is C29H30ClF2N3O.
What is the molecular weight of RefChem:198530?
The molecular weight of RefChem:198530 is 509.20456 g/mol.
Where can I buy RefChem:198530?
You can request a quote for RefChem:198530 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:198530?
Yes, CoreyChem provides custom synthesis services for RefChem:198530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.