1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
TL;DR: 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid (CAS 82789-30-8) is a chemical compound with molecular formula C18H15FN2O2 and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid, 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, 1-(4-fluorophenyl)-1,2,3,4-tetrahydrobeta-carboline-3-carboxylic acid
| Molecular Formula | C18H15FN2O2 |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 2.9953 |
| Topological Polar Surface Area | 65.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.11176 |
| Heavy Atoms | 23 |
| Complexity | 885.6779 |
Chemical Identifiers
| CAS Number | 82789-30-8 |
|---|---|
| SMILES | C1C(NC(C2=C1C3=CC=CC=C3N2)C4=CC=C(C=C4)F)C(=O)O |
Product Overview
1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid (CAS 82789-30-8), with molecular formula C18H15FN2O2 and molecular weight 310.11 g/mol. IUPAC: 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Property Insights of 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
The XLogP value of 2.9953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid. The TPSA of 65.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid has 3 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-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The CAS number of 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is 82789-30-8.
What is the molecular formula of 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The molecular formula of 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is C18H15FN2O2.
What is the molecular weight of 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The molecular weight of 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is 310.11 g/mol.
Where can I buy 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
You can request a quote for 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.