Nolpitantium
TL;DR: Nolpitantium (CAS 155418-05-6) is a chemical compound with molecular formula C37H45Cl2N2O2+ and molecular weight 619.2858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3S)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
Also Known As: Nolpitantium, Nolpitantium ion, Nolpitantium cation, Nolpitantium besilate, Nolpitantium Free Base
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C37H45Cl2N2O2+ |
| Molecular Weight | 619.2858 g/mol |
| XLogP | 8.4 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 619.2858 Da |
| Heavy Atoms | 43 |
| Complexity | 913.0 |
| SMILES | CC(C)OC1=CC=CC(=C1)CC(=O)N2CCC[C@](C2)(CC[N+]34CCC(CC3)(CC4)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl |
| InChIKey | RPDFDSQFBCJTDY-GAQXSTBRSA-N |
Chemical Property Profile of Nolpitantium
Property Insights of Nolpitantium
The XLogP value of 8.4 indicates that Nolpitantium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Nolpitantium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nolpitantium has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Nolpitantium?
The CAS number of Nolpitantium is 155418-05-6.
What is the molecular formula of Nolpitantium?
The molecular formula of Nolpitantium is C37H45Cl2N2O2+.
What is the molecular weight of Nolpitantium?
The molecular weight of Nolpitantium is 619.2858 g/mol.
Where can I buy Nolpitantium?
You can request a quote for Nolpitantium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nolpitantium?
Yes, CoreyChem provides custom synthesis services for Nolpitantium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.