Itasetron
TL;DR: Itasetron (CAS 123258-84-4) is a chemical compound with molecular formula C16H20N4O2 and molecular weight 300.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-3H-benzimidazole-1-carboxamide
Also Known As: ITASETRON, DAU6215CL, Itasetron [USAN:INN], Itasetron < Rec INN, ITASETRON [INN]
| Molecular Formula | C16H20N4O2 |
|---|---|
| Molecular Weight | 300.16 g/mol |
| LogP | 1.5125 |
| Topological Polar Surface Area | 70.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.15863 |
| Heavy Atoms | 22 |
| Complexity | 763.78894 |
Chemical Identifiers
| CAS Number | 123258-84-4 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)N3C4=CC=CC=C4NC3=O |
Product Overview
Itasetron (CAS 123258-84-4), with molecular formula C16H20N4O2 and molecular weight 300.16 g/mol. IUPAC: N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-3H-benzimidazole-1-carboxamide.
Chemical Property Profile of Itasetron
Property Insights of Itasetron
The XLogP value of 1.5125 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Itasetron. The TPSA of 70.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Itasetron. Following Lipinski's Rule of Five, Itasetron 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 Itasetron?
The CAS number of Itasetron is 123258-84-4.
What is the molecular formula of Itasetron?
The molecular formula of Itasetron is C16H20N4O2.
What is the molecular weight of Itasetron?
The molecular weight of Itasetron is 300.16 g/mol.
Where can I buy Itasetron?
You can request a quote for Itasetron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Itasetron?
Yes, KEHONG BIO provides custom synthesis services for Itasetron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.