A-carboline-3-carboxylic acid
TL;DR: A-carboline-3-carboxylic acid (CAS 74191-71-2) is a chemical compound with molecular formula C19H18N2O4 and molecular weight 338.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-carboxyphenyl)-2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: A-carboline-3-carboxylic acid, KST-1B8274, 2,2'-tetradecane-1,14-diyldioxirane, 1-(2-carboxyphenyl)-2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, 1-(2-carboxyphenyl)-2,3,4,4a,9,9a-hexahydro-1h-
| Molecular Formula | C19H18N2O4 |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.12665 |
| Heavy Atoms | 25 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 74191-71-2 |
|---|---|
| SMILES | C1C2C(C(NC1C(=O)O)C3=CC=CC=C3C(=O)O)NC4=CC=CC=C24 |
| InChIKey | FKECYHCOTMEUKR-UHFFFAOYSA-N |
Product Overview
A-carboline-3-carboxylic acid (CAS 74191-71-2), with molecular formula C19H18N2O4 and molecular weight 338.13 g/mol. IUPAC: 1-(2-carboxyphenyl)-2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of A-carboline-3-carboxylic acid
Property Insights of A-carboline-3-carboxylic acid
The XLogP value of -0.1 indicates that A-carboline-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for A-carboline-3-carboxylic acid. Following Lipinski's Rule of Five, A-carboline-3-carboxylic acid has 4 hydrogen bond donor(s) and 6 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 A-carboline-3-carboxylic acid?
The CAS number of A-carboline-3-carboxylic acid is 74191-71-2.
What is the molecular formula of A-carboline-3-carboxylic acid?
The molecular formula of A-carboline-3-carboxylic acid is C19H18N2O4.
What is the molecular weight of A-carboline-3-carboxylic acid?
The molecular weight of A-carboline-3-carboxylic acid is 338.13 g/mol.
Where can I buy A-carboline-3-carboxylic acid?
You can request a quote for A-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 A-carboline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for A-carboline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.