Rupatadine trihydrochloride
TL;DR: Rupatadine trihydrochloride (CAS 156611-76-6) is a chemical compound with molecular formula C26H29Cl4N3 and molecular weight 523.1116 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
13-chloro-2-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;trihydrochloride
Also Known As: Rupatadine, Rupatadine trihydrochloride, Rupatadine HCl, Rupatadine hydrochloride, Rupatadine-D6 Tartrate
Technical Specifications
| Molecular Formula | C26H29Cl4N3 |
| Molecular Weight | 523.1116 g/mol |
| XLogP | 6.90032 |
| Topological Polar Surface Area (TPSA) | 29.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 523.1116 Da |
| Heavy Atoms | 33 |
| Complexity | 609.0 |
| SMILES | CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2.Cl.Cl.Cl |
| InChIKey | BQFOTHHRVVHLEW-UHFFFAOYSA-N |
Chemical Property Profile of Rupatadine trihydrochloride
Property Insights of Rupatadine trihydrochloride
The XLogP value of 6.90032 indicates that Rupatadine trihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.0 Ų, Rupatadine trihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rupatadine trihydrochloride has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Rupatadine trihydrochloride?
The CAS number of Rupatadine trihydrochloride is 156611-76-6.
What is the molecular formula of Rupatadine trihydrochloride?
The molecular formula of Rupatadine trihydrochloride is C26H29Cl4N3.
What is the molecular weight of Rupatadine trihydrochloride?
The molecular weight of Rupatadine trihydrochloride is 523.1116 g/mol.
Where can I buy Rupatadine trihydrochloride?
You can request a quote for Rupatadine trihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Rupatadine trihydrochloride?
Yes, CoreyChem provides custom synthesis services for Rupatadine trihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.