1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
TL;DR: 1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline (CAS 331852-83-6) is a chemical compound with molecular formula C17H15FN2 and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Also Known As: 1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline, 1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, 1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline #, Pyrido[3,4-b]indole, 1,2,3,4-tetrahydro-1-(3-fluorophenyl)-, Cambridge id 5118756
| Molecular Formula | C17H15FN2 |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.12192 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 331852-83-6 |
|---|---|
| SMILES | C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC(=CC=C4)F |
| InChIKey | XRGMJPZNCWYTRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline (CAS 331852-83-6), with molecular formula C17H15FN2 and molecular weight 266.12 g/mol. IUPAC: 1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
Chemical Property Profile of 1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
Property Insights of 1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
The XLogP value of 3.3 indicates that 1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.8 Ų, 1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline has 2 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 1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
The CAS number of 1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline is 331852-83-6.
What is the molecular formula of 1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
The molecular formula of 1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline is C17H15FN2.
What is the molecular weight of 1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
The molecular weight of 1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline is 266.12 g/mol.
Where can I buy 1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
You can request a quote for 1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.