1-Isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
TL;DR: 1-Isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid (CAS 436811-11-9) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: 1-Isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid, TimTec1_008426, 3551AE, BAS 02801161, 1-Isopropyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 2.4639 |
| Topological Polar Surface Area | 65.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 630.1073 |
Chemical Identifiers
| CAS Number | 436811-11-9 |
|---|---|
| SMILES | CC(C)C1C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2 |
Product Overview
1-Isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid (CAS 436811-11-9), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: 1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of 1-Isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Property Insights of 1-Isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
The XLogP value of 2.4639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid. The TPSA of 65.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid. Following Lipinski's Rule of Five, 1-Isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid has 3 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 1-Isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The CAS number of 1-Isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is 436811-11-9.
What is the molecular formula of 1-Isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The molecular formula of 1-Isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is C15H18N2O2.
What is the molecular weight of 1-Isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The molecular weight of 1-Isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is 258.14 g/mol.
Where can I buy 1-Isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
You can request a quote for 1-Isopropyl-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-Isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Isopropyl-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.