昂丹司琼
TL;DR: 昂丹司琼 (CAS 99614-02-5) is a chemical compound with molecular formula C18H19N3O and molecular weight 293.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
昂丹司琼
9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
Also Known As: ondansetron, Zofran, Zudan, Zophren, Zofran ODT
| Molecular Formula | C18H19N3O |
|---|---|
| Molecular Weight | 293.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 39.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.1528 |
| Heavy Atoms | 22 |
| Complexity | 440.0 |
| Melting Point | 231-232 °C |
| Solubility | Sparingly soluble in water |
Chemical Identifiers
| CAS Number | 99614-02-5 |
|---|---|
| SMILES | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C |
| InChIKey | FELGMEQIXOGIFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
昂丹司琼 (CAS 99614-02-5), with molecular formula C18H19N3O and molecular weight 293.15 g/mol. IUPAC: 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one.
Chemical Property Profile of 昂丹司琼
Property Insights of 昂丹司琼
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 昂丹司琼. With a topological polar surface area (TPSA) of 39.8 Ų, 昂丹司琼 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 昂丹司琼 has 0 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 昂丹司琼?
The CAS number of 昂丹司琼 is 99614-02-5.
What is the molecular formula of 昂丹司琼?
The molecular formula of 昂丹司琼 is C18H19N3O.
What is the molecular weight of 昂丹司琼?
The molecular weight of 昂丹司琼 is 293.15 g/mol.
Where can I buy 昂丹司琼?
You can request a quote for 昂丹司琼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 昂丹司琼?
Yes, KEHONG BIO provides custom synthesis services for 昂丹司琼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.