9'-Desmethyl granisetron
TL;DR: 9'-Desmethyl granisetron (CAS 1216398-33-2) is a chemical compound with molecular formula C17H22N4O and molecular weight 298.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-1-methylindazole-3-carboxamide
Also Known As: 9'-Desmethyl granisetron, 9-Desmethyl granisetron, Granisetron EP Impurity C, 9-Desmethyl granisetron [USP], Granisetron related compound C [USP]
| Molecular Formula | C17H22N4O |
|---|---|
| Molecular Weight | 298.18 g/mol |
| LogP | 1.9762 |
| Topological Polar Surface Area | 58.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.17935 |
| Heavy Atoms | 22 |
| Complexity | 695.7469 |
Chemical Identifiers
| CAS Number | 1216398-33-2 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=N1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4 |
Product Overview
9'-Desmethyl granisetron (CAS 1216398-33-2), with molecular formula C17H22N4O and molecular weight 298.18 g/mol. IUPAC: N-[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-1-methylindazole-3-carboxamide.
Chemical Property Profile of 9'-Desmethyl granisetron
Property Insights of 9'-Desmethyl granisetron
The XLogP value of 1.9762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9'-Desmethyl granisetron. With a topological polar surface area (TPSA) of 58.95 Ų, 9'-Desmethyl granisetron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9'-Desmethyl granisetron has 2 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 9'-Desmethyl granisetron?
The CAS number of 9'-Desmethyl granisetron is 1216398-33-2.
What is the molecular formula of 9'-Desmethyl granisetron?
The molecular formula of 9'-Desmethyl granisetron is C17H22N4O.
What is the molecular weight of 9'-Desmethyl granisetron?
The molecular weight of 9'-Desmethyl granisetron is 298.18 g/mol.
Where can I buy 9'-Desmethyl granisetron?
You can request a quote for 9'-Desmethyl granisetron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9'-Desmethyl granisetron?
Yes, KEHONG BIO provides custom synthesis services for 9'-Desmethyl granisetron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.