Todralazine hydrochloride
TL;DR: Todralazine hydrochloride (CAS 3778-76-5) is a chemical compound with molecular formula C11H13ClN4O2 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(phthalazin-1-ylamino)carbamate;hydrochloride
Also Known As: Todralazine hydrochloride, Ecarazine, Apirachol, Binazine, todralazine
| Molecular Formula | C11H13ClN4O2 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 2.12 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.0727 |
| Heavy Atoms | 18 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 3778-76-5 |
|---|---|
| SMILES | CCOC(=O)NNC1=NN=CC2=CC=CC=C21.Cl |
| InChIKey | OMCOKCNIYWULQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Todralazine hydrochloride (CAS 3778-76-5), with molecular formula C11H13ClN4O2 and molecular weight 268.07 g/mol. IUPAC: ethyl N-(phthalazin-1-ylamino)carbamate;hydrochloride.
Chemical Property Profile of Todralazine hydrochloride
Property Insights of Todralazine hydrochloride
The XLogP value of 2.12 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Todralazine hydrochloride. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Todralazine hydrochloride. Following Lipinski's Rule of Five, Todralazine hydrochloride has 3 hydrogen bond donor(s) and 5 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 Todralazine hydrochloride?
The CAS number of Todralazine hydrochloride is 3778-76-5.
What is the molecular formula of Todralazine hydrochloride?
The molecular formula of Todralazine hydrochloride is C11H13ClN4O2.
What is the molecular weight of Todralazine hydrochloride?
The molecular weight of Todralazine hydrochloride is 268.07 g/mol.
Where can I buy Todralazine hydrochloride?
You can request a quote for Todralazine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Todralazine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Todralazine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.