Brl 43694A
TL;DR: Brl 43694A (CAS 107007-99-8) is a chemical compound with molecular formula C18H25ClN4O and molecular weight 348.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride
Also Known As: Granisetron hydrochloride, Granisetron HCl, Kytril, Kytril Injection, Bema granisetron
| Molecular Formula | C18H25ClN4O |
|---|---|
| Molecular Weight | 348.17 g/mol |
| LogP | 2.74 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.1717 |
| Heavy Atoms | 24 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 107007-99-8 |
|---|---|
| SMILES | CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C.Cl |
| InChIKey | QYZRTBKYBJRGJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Brl 43694A (CAS 107007-99-8), with molecular formula C18H25ClN4O and molecular weight 348.17 g/mol. IUPAC: 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride.
Chemical Property Profile of Brl 43694A
Property Insights of Brl 43694A
The XLogP value of 2.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brl 43694A. With a topological polar surface area (TPSA) of 50.2 Ų, Brl 43694A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Brl 43694A 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 Brl 43694A?
The CAS number of Brl 43694A is 107007-99-8.
What is the molecular formula of Brl 43694A?
The molecular formula of Brl 43694A is C18H25ClN4O.
What is the molecular weight of Brl 43694A?
The molecular weight of Brl 43694A is 348.17 g/mol.
Where can I buy Brl 43694A?
You can request a quote for Brl 43694A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brl 43694A?
Yes, KEHONG BIO provides custom synthesis services for Brl 43694A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.