1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
TL;DR: 1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid (CAS 73198-03-5) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
Also Known As: ChemDiv1_007988, 1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid, AURORA 2277, 1,1-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, 8909AE
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 73198-03-5 |
|---|---|
| SMILES | CC1(C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2)C |
| InChIKey | CWGHZIOJFVTEPN-UHFFFAOYSA-N |
Product Overview
1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid (CAS 73198-03-5), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: 1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of 1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Property Insights of 1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
The XLogP value of -0.6 indicates that 1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid. Following Lipinski's Rule of Five, 1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid has 3 hydrogen bond donor(s) and 3 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 1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The CAS number of 1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is 73198-03-5.
What is the molecular formula of 1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The molecular formula of 1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is C14H16N2O2.
What is the molecular weight of 1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The molecular weight of 1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is 244.12 g/mol.
Where can I buy 1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
You can request a quote for 1,1-Dimethyl-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 1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethyl-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.