Lurosetron
TL;DR: Lurosetron (CAS 128486-54-4) is a chemical compound with molecular formula C17H17FN4O and molecular weight 312.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-fluoro-5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
Also Known As: lurosetronum, Lurosetron [INN:BAN], Lurosetron mesylate, LUROSETRON [INN], 6-fluoro-5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
| Molecular Formula | C17H17FN4O |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.13864 |
| Heavy Atoms | 23 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 128486-54-4 |
|---|---|
| SMILES | CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=C(N3C)C(=CC=C4)F |
| InChIKey | NUMKWGDDRWJQMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Lurosetron (CAS 128486-54-4), with molecular formula C17H17FN4O and molecular weight 312.14 g/mol. IUPAC: 6-fluoro-5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one.
Chemical Property Profile of Lurosetron
Property Insights of Lurosetron
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lurosetron. With a topological polar surface area (TPSA) of 53.9 Ų, Lurosetron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lurosetron has 1 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 Lurosetron?
The CAS number of Lurosetron is 128486-54-4.
What is the molecular formula of Lurosetron?
The molecular formula of Lurosetron is C17H17FN4O.
What is the molecular weight of Lurosetron?
The molecular weight of Lurosetron is 312.14 g/mol.
Where can I buy Lurosetron?
You can request a quote for Lurosetron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lurosetron?
Yes, KEHONG BIO provides custom synthesis services for Lurosetron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.