1-Methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid
TL;DR: 1-Methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid (CAS 5470-37-1) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: Tetrahydroharman-3-carboxylic acid, Tryptophan EP Impurity I, MTCA, ChemDiv1_000460, 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
| Molecular Formula | C13H14N2O2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.10553 |
| Heavy Atoms | 17 |
| Complexity | 321.0 |
| Melting Point | 290 °C |
Chemical Identifiers
| CAS Number | 5470-37-1 |
|---|---|
| SMILES | CC1C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2 |
| InChIKey | ZUPHXNBLQCSEIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid (CAS 5470-37-1), with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol. IUPAC: 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of 1-Methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid
Property Insights of 1-Methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid
The XLogP value of -0.8 indicates that 1-Methyl-1,2,3,4-tetrahydro-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-Methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid. Following Lipinski's Rule of Five, 1-Methyl-1,2,3,4-tetrahydro-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-Methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid?
The CAS number of 1-Methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid is 5470-37-1.
What is the molecular formula of 1-Methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid?
The molecular formula of 1-Methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid is C13H14N2O2.
What is the molecular weight of 1-Methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid?
The molecular weight of 1-Methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid is 230.11 g/mol.
Where can I buy 1-Methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid?
You can request a quote for 1-Methyl-1,2,3,4-tetrahydro-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-Methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.