2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester
TL;DR: 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester (CAS 2226840-20-4) 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.
methyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: methyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, ChemDiv1_000390, 2,3,4,9-Tetrahydro-1H-b-carboline-3-carboxylic acid methyl ester, Methyl 2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate, 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester
| Molecular Formula | C13H14N2O2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.10553 |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 2226840-20-4 |
|---|---|
| SMILES | COC(=O)C1CC2=C(CN1)NC3=CC=CC=C23 |
| InChIKey | QZGCHMZBGHVZFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester (CAS 2226840-20-4), with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol. IUPAC: methyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester
Property Insights of 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester. With a topological polar surface area (TPSA) of 54.1 Ų, 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester has 2 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 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester?
The CAS number of 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester is 2226840-20-4.
What is the molecular formula of 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester?
The molecular formula of 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester is C13H14N2O2.
What is the molecular weight of 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester?
The molecular weight of 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester is 230.11 g/mol.
Where can I buy 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester?
You can request a quote for 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.