1-(4-Bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
TL;DR: 1-(4-Bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline (CAS 334500-55-9) is a chemical compound with molecular formula C17H15BrN2 and molecular weight 326.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Also Known As: HPHJFDGJKPJDGN-UHFFFAOYSA-, BAS 01059544, J1.699.707B, 1-(4-Bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline, 1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
| Molecular Formula | C17H15BrN2 |
|---|---|
| Molecular Weight | 326.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.04187 |
| Heavy Atoms | 20 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 334500-55-9 |
|---|---|
| SMILES | C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC=C(C=C4)Br |
| InChIKey | HPHJFDGJKPJDGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline (CAS 334500-55-9), with molecular formula C17H15BrN2 and molecular weight 326.04 g/mol. IUPAC: 1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
Chemical Property Profile of 1-(4-Bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
Property Insights of 1-(4-Bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
The XLogP value of 3.9 indicates that 1-(4-Bromophenyl)-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-(4-Bromophenyl)-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-(4-Bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline has 2 hydrogen bond donor(s) and 1 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-(4-Bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
The CAS number of 1-(4-Bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline is 334500-55-9.
What is the molecular formula of 1-(4-Bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
The molecular formula of 1-(4-Bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline is C17H15BrN2.
What is the molecular weight of 1-(4-Bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
The molecular weight of 1-(4-Bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline is 326.04 g/mol.
Where can I buy 1-(4-Bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
You can request a quote for 1-(4-Bromophenyl)-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-(4-Bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.