Todralazine
TL;DR: Todralazine (CAS 14679-73-3) is a chemical compound with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(phthalazin-1-ylamino)carbamate
Also Known As: todralazine, Todralazina, Ecarazine, Todralacina, Todralazinum
| Molecular Formula | C11H12N4O2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.09602 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 14679-73-3 |
|---|---|
| SMILES | CCOC(=O)NNC1=NN=CC2=CC=CC=C21 |
| InChIKey | WGZDBVOTUVNQFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Todralazine (CAS 14679-73-3), with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol. IUPAC: ethyl N-(phthalazin-1-ylamino)carbamate.
Chemical Property Profile of Todralazine
Property Insights of Todralazine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Todralazine. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Todralazine. Following Lipinski's Rule of Five, Todralazine has 2 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?
The CAS number of Todralazine is 14679-73-3.
What is the molecular formula of Todralazine?
The molecular formula of Todralazine is C11H12N4O2.
What is the molecular weight of Todralazine?
The molecular weight of Todralazine is 232.10 g/mol.
Where can I buy Todralazine?
You can request a quote for Todralazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Todralazine?
Yes, KEHONG BIO provides custom synthesis services for Todralazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.