Dotarizine
TL;DR: Dotarizine (CAS 84625-59-2) is a chemical compound with molecular formula C29H34N2O2 and molecular weight 442.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzhydryl-4-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]piperazine
Also Known As: Dotarizina, Dotarizinum, Dotarizine [INN], Dotarazine, Dotarizinum [Latin]
| Molecular Formula | C29H34N2O2 |
|---|---|
| Molecular Weight | 442.26 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.26202 |
| Heavy Atoms | 33 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 84625-59-2 |
|---|---|
| SMILES | C1CN(CCN1CCCC2(OCCO2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | LRMJAFKKJLRDLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dotarizine (CAS 84625-59-2), with molecular formula C29H34N2O2 and molecular weight 442.26 g/mol. IUPAC: 1-benzhydryl-4-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]piperazine.
Chemical Property Profile of Dotarizine
Property Insights of Dotarizine
The XLogP value of 4.9 indicates that Dotarizine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.9 Ų, Dotarizine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dotarizine has 0 hydrogen bond donor(s) and 4 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 Dotarizine?
The CAS number of Dotarizine is 84625-59-2.
What is the molecular formula of Dotarizine?
The molecular formula of Dotarizine is C29H34N2O2.
What is the molecular weight of Dotarizine?
The molecular weight of Dotarizine is 442.26 g/mol.
Where can I buy Dotarizine?
You can request a quote for Dotarizine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dotarizine?
Yes, KEHONG BIO provides custom synthesis services for Dotarizine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.