Ondansetron Hydrochloride
TL;DR: Ondansetron Hydrochloride (CAS 99614-01-4) is a chemical compound with molecular formula C18H20ClN3O and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;hydrochloride
Also Known As: ONDANSETRON HYDROCHLORIDE, ONDANSETRON HCl, Zofran, Ondemet, Zophren
| Molecular Formula | C18H20ClN3O |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 3.55 |
| Topological Polar Surface Area | 39.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.1295 |
| Heavy Atoms | 23 |
| Complexity | 440.0 |
| Solubility | 47.7 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 99614-01-4 |
|---|---|
| SMILES | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl |
| InChIKey | MKBLHFILKIKSQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ondansetron Hydrochloride (CAS 99614-01-4), with molecular formula C18H20ClN3O and molecular weight 329.13 g/mol. IUPAC: 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;hydrochloride.
Chemical Property Profile of Ondansetron Hydrochloride
Property Insights of Ondansetron Hydrochloride
The XLogP value of 3.55 indicates that Ondansetron Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.8 Ų, Ondansetron Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ondansetron Hydrochloride has 1 hydrogen bond donor(s) and 2 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 Ondansetron Hydrochloride?
The CAS number of Ondansetron Hydrochloride is 99614-01-4.
What is the molecular formula of Ondansetron Hydrochloride?
The molecular formula of Ondansetron Hydrochloride is C18H20ClN3O.
What is the molecular weight of Ondansetron Hydrochloride?
The molecular weight of Ondansetron Hydrochloride is 329.13 g/mol.
Where can I buy Ondansetron Hydrochloride?
You can request a quote for Ondansetron Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ondansetron Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ondansetron Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.