1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline
TL;DR: 1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline (CAS 3790-45-2) is a chemical compound with molecular formula C17H16N2 and molecular weight 248.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Also Known As: 1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, 1-Phenyl-tetrahydrocarboline, 1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline, CMLD2_000054, 1-Phenyl-1,2,3,4-tetrahydro-beta-carboline
| Molecular Formula | C17H16N2 |
|---|---|
| Molecular Weight | 248.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.13135 |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 3790-45-2 |
|---|---|
| SMILES | C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4 |
| InChIKey | INERHEQVAVQJBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline (CAS 3790-45-2), with molecular formula C17H16N2 and molecular weight 248.13 g/mol. IUPAC: 1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
Chemical Property Profile of 1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline
Property Insights of 1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline
The XLogP value of 3.2 indicates that 1-Phenyl-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-Phenyl-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-Phenyl-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-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline?
The CAS number of 1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline is 3790-45-2.
What is the molecular formula of 1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline?
The molecular formula of 1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline is C17H16N2.
What is the molecular weight of 1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline?
The molecular weight of 1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline is 248.13 g/mol.
Where can I buy 1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline?
You can request a quote for 1-Phenyl-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-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.