2-acetyl-1-butyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
TL;DR: 2-acetyl-1-butyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid (CAS 1039366-26-1) is a chemical compound with molecular formula C18H22N2O3 and molecular weight 314.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-1-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
Also Known As: 2-acetyl-1-butyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid, 2-acetyl-1-butyl-1,2,3,4-tetrahydrobeta-carboline-3-carboxylic acid, 2-acetyl-1-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid, 2-Acetyl-1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
| Molecular Formula | C18H22N2O3 |
|---|---|
| Molecular Weight | 314.16 g/mol |
| LogP | 3.257 |
| Topological Polar Surface Area | 73.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.16306 |
| Heavy Atoms | 23 |
| Complexity | 749.8047 |
Chemical Identifiers
| CAS Number | 1039366-26-1 |
|---|---|
| SMILES | CCCCC1C2=C(CC(N1C(=O)C)C(=O)O)C3=CC=CC=C3N2 |
Product Overview
2-acetyl-1-butyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid (CAS 1039366-26-1), with molecular formula C18H22N2O3 and molecular weight 314.16 g/mol. IUPAC: 2-acetyl-1-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of 2-acetyl-1-butyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Property Insights of 2-acetyl-1-butyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
The XLogP value of 3.257 indicates that 2-acetyl-1-butyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-acetyl-1-butyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid. Following Lipinski's Rule of Five, 2-acetyl-1-butyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid 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 2-acetyl-1-butyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The CAS number of 2-acetyl-1-butyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is 1039366-26-1.
What is the molecular formula of 2-acetyl-1-butyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The molecular formula of 2-acetyl-1-butyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is C18H22N2O3.
What is the molecular weight of 2-acetyl-1-butyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The molecular weight of 2-acetyl-1-butyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is 314.16 g/mol.
Where can I buy 2-acetyl-1-butyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
You can request a quote for 2-acetyl-1-butyl-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 2-acetyl-1-butyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-acetyl-1-butyl-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.