5-HT3 antagonist 3
TL;DR: 5-HT3 antagonist 3 (CAS 120635-47-4) is a chemical compound with molecular formula C20H21N3O and molecular weight 319.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-[(2-methylimidazol-1-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one
Also Known As: 5-HT3 antagonist 3, Cilansetron, Imidazol-1-yl compound 1, 12-[(2-methylimidazol-1-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one, 4H-Pyrido[3,2,1-jk]carbazol-11(8H)-one,5,6,9,10-tetrahydro-10-[(2-methyl-1H-imidazol-1-yl)methyl]-
| Molecular Formula | C20H21N3O |
|---|---|
| Molecular Weight | 319.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 39.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.16846 |
| Heavy Atoms | 24 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 120635-47-4 |
|---|---|
| SMILES | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC5=C4N3CCC5 |
| InChIKey | NCNFDKWULDWJDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-HT3 antagonist 3 (CAS 120635-47-4), with molecular formula C20H21N3O and molecular weight 319.17 g/mol. IUPAC: 12-[(2-methylimidazol-1-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one.
Chemical Property Profile of 5-HT3 antagonist 3
Property Insights of 5-HT3 antagonist 3
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-HT3 antagonist 3. With a topological polar surface area (TPSA) of 39.8 Ų, 5-HT3 antagonist 3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-HT3 antagonist 3 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 5-HT3 antagonist 3?
The CAS number of 5-HT3 antagonist 3 is 120635-47-4.
What is the molecular formula of 5-HT3 antagonist 3?
The molecular formula of 5-HT3 antagonist 3 is C20H21N3O.
What is the molecular weight of 5-HT3 antagonist 3?
The molecular weight of 5-HT3 antagonist 3 is 319.17 g/mol.
Where can I buy 5-HT3 antagonist 3?
You can request a quote for 5-HT3 antagonist 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-HT3 antagonist 3?
Yes, KEHONG BIO provides custom synthesis services for 5-HT3 antagonist 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.