(3H)granisetron
TL;DR: (3H)granisetron (CAS 109889-09-0) is a chemical compound with molecular formula C18H24N4O and molecular weight 312.195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide
Also Known As: granisetron, Sancuso, Granisetron base, Kytril, Granisetron-d3
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H24N4O |
| Molecular Weight | 312.195 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.195 Da |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
| Melting Point | 219 °C (hydrochloride salt) |
| Solubility | 4.34e-01 g/L |
| SMILES | CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C |
| InChIKey | MFWNKCLOYSRHCJ-UHFFFAOYSA-N |
Chemical Property Profile of (3H)granisetron
Property Insights of (3H)granisetron
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3H)granisetron. With a topological polar surface area (TPSA) of 50.2 Ų, (3H)granisetron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3H)granisetron has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3H)granisetron?
The CAS number of (3H)granisetron is 109889-09-0.
What is the molecular formula of (3H)granisetron?
The molecular formula of (3H)granisetron is C18H24N4O.
What is the molecular weight of (3H)granisetron?
The molecular weight of (3H)granisetron is 312.195 g/mol.
Where can I buy (3H)granisetron?
You can request a quote for (3H)granisetron directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3H)granisetron?
Yes, CoreyChem provides custom synthesis services for (3H)granisetron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.