格拉司琼
TL;DR: 格拉司琼 (CAS 109889-09-0) is a chemical compound with molecular formula C18H24N4O and molecular weight 312.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
格拉司琼
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
| Molecular Formula | C18H24N4O |
|---|---|
| Molecular Weight | 312.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.195 |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
| Melting Point | 219 °C (hydrochloride salt) |
| Solubility | 4.34e-01 g/L |
Chemical Identifiers
| CAS Number | 109889-09-0 |
|---|---|
| SMILES | CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C |
| InChIKey | MFWNKCLOYSRHCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
格拉司琼 (CAS 109889-09-0), with molecular formula C18H24N4O and molecular weight 312.19 g/mol. IUPAC: 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide.
Chemical Property Profile of 格拉司琼
Property Insights of 格拉司琼
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 格拉司琼. With a topological polar surface area (TPSA) of 50.2 Ų, 格拉司琼 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 格拉司琼 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
Frequently Asked Questions
What is the CAS number of 格拉司琼?
The CAS number of 格拉司琼 is 109889-09-0.
What is the molecular formula of 格拉司琼?
The molecular formula of 格拉司琼 is C18H24N4O.
What is the molecular weight of 格拉司琼?
The molecular weight of 格拉司琼 is 312.19 g/mol.
Where can I buy 格拉司琼?
You can request a quote for 格拉司琼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 格拉司琼?
Yes, KEHONG BIO provides custom synthesis services for 格拉司琼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.