![1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid structure](/static/products/1464/146436-31-9.webp)
1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
TL;DR: 1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (CAS 146436-31-9) is a chemical compound with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: 1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, BAS 00012706, 1-Isobutyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid, 1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, 1-(2-METHYLPROPYL)-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID
| Molecular Formula | C16H20N2O2 |
|---|---|
| Molecular Weight | 272.15 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.15247 |
| Heavy Atoms | 20 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 146436-31-9 |
|---|---|
| SMILES | CC(C)CC1C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2 |
| InChIKey | MKRFXFYXNSJWRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (CAS 146436-31-9), with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol. IUPAC: 1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of 1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Property Insights of 1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-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-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
The CAS number of 1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is 146436-31-9.
What is the molecular formula of 1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
The molecular formula of 1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is C16H20N2O2.
What is the molecular weight of 1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
The molecular weight of 1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is 272.15 g/mol.
Where can I buy 1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
You can request a quote for 1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-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-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.