Tiracizine hydrochloride
TL;DR: Tiracizine hydrochloride (CAS 78816-67-8) is a chemical compound with molecular formula C21H26ClN3O3 and molecular weight 403.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride
Also Known As: Bonnecor, Tiracizine hydrochloride, Tiracizine HCl, Tiracizine, Tiracizine (hydrochloride)
| Molecular Formula | C21H26ClN3O3 |
|---|---|
| Molecular Weight | 403.17 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.16626 |
| Heavy Atoms | 28 |
| Complexity | 525.0 |
| Solubility | 57.7 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 78816-67-8 |
|---|---|
| SMILES | CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN(C)C)C=C1.Cl |
| InChIKey | XJWABFCDXKZWPV-UHFFFAOYSA-N |
Product Overview
Tiracizine hydrochloride (CAS 78816-67-8), with molecular formula C21H26ClN3O3 and molecular weight 403.17 g/mol. IUPAC: ethyl N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride.
Chemical Property Profile of Tiracizine hydrochloride
Property Insights of Tiracizine hydrochloride
The XLogP value of 4.0 indicates that Tiracizine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Tiracizine hydrochloride. Following Lipinski's Rule of Five, Tiracizine hydrochloride has 2 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 Tiracizine hydrochloride?
The CAS number of Tiracizine hydrochloride is 78816-67-8.
What is the molecular formula of Tiracizine hydrochloride?
The molecular formula of Tiracizine hydrochloride is C21H26ClN3O3.
What is the molecular weight of Tiracizine hydrochloride?
The molecular weight of Tiracizine hydrochloride is 403.17 g/mol.
Where can I buy Tiracizine hydrochloride?
You can request a quote for Tiracizine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tiracizine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Tiracizine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.