1-(4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
TL;DR: 1-(4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid (CAS 1023949-54-3) is a chemical compound with molecular formula C21H16N2O4 and molecular weight 360.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-oxochromen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: 1-(4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, 1-(4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid, 1-(4-oxo-4h-chromen-3-yl)-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid [M+H]+, 1-(4-oxochromen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
| Molecular Formula | C21H16N2O4 |
|---|---|
| Molecular Weight | 360.11 g/mol |
| LogP | 2.9626 |
| Topological Polar Surface Area | 95.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.111 |
| Heavy Atoms | 27 |
| Complexity | 1254.0 |
Chemical Identifiers
| CAS Number | 1023949-54-3 |
|---|---|
| SMILES | C1C(NC(C2=C1C3=CC=CC=C3N2)C4=COC5=CC=CC=C5C4=O)C(=O)O |
Product Overview
1-(4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid (CAS 1023949-54-3), with molecular formula C21H16N2O4 and molecular weight 360.11 g/mol. IUPAC: 1-(4-oxochromen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of 1-(4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Property Insights of 1-(4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
The XLogP value of 2.9626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid. The TPSA of 95.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid has 3 hydrogen bond donor(s) and 4 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-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The CAS number of 1-(4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is 1023949-54-3.
What is the molecular formula of 1-(4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The molecular formula of 1-(4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is C21H16N2O4.
What is the molecular weight of 1-(4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The molecular weight of 1-(4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is 360.11 g/mol.
Where can I buy 1-(4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
You can request a quote for 1-(4-oxo-4H-chromen-3-yl)-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-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-oxo-4H-chromen-3-yl)-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.