1H-Indole-3-butanoic acid, 2-carboxy-
TL;DR: 1H-Indole-3-butanoic acid, 2-carboxy- (CAS 36352-84-8) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-carboxypropyl)-1H-indole-2-carboxylic acid
Also Known As: 2-Carboxyindole-3-butyric acid, 4- BUTYRICACID, 4-(2-Carboxyindol-3-yl)butyric acid, 1H-Indole-3-butanoic acid, 2-carboxy-, 3-(3-carboxypropyl)-1H-indole-2-carboxylic acid
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 36352-84-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N2)C(=O)O)CCCC(=O)O |
| InChIKey | IAFOXRHFSQERNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indole-3-butanoic acid, 2-carboxy- (CAS 36352-84-8), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: 3-(3-carboxypropyl)-1H-indole-2-carboxylic acid.
Chemical Property Profile of 1H-Indole-3-butanoic acid, 2-carboxy-
Property Insights of 1H-Indole-3-butanoic acid, 2-carboxy-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-3-butanoic acid, 2-carboxy-. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-3-butanoic acid, 2-carboxy-. Following Lipinski's Rule of Five, 1H-Indole-3-butanoic acid, 2-carboxy- has 3 hydrogen bond donor(s) and 4 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 1H-Indole-3-butanoic acid, 2-carboxy-?
The CAS number of 1H-Indole-3-butanoic acid, 2-carboxy- is 36352-84-8.
What is the molecular formula of 1H-Indole-3-butanoic acid, 2-carboxy-?
The molecular formula of 1H-Indole-3-butanoic acid, 2-carboxy- is C13H13NO4.
What is the molecular weight of 1H-Indole-3-butanoic acid, 2-carboxy-?
The molecular weight of 1H-Indole-3-butanoic acid, 2-carboxy- is 247.08 g/mol.
Where can I buy 1H-Indole-3-butanoic acid, 2-carboxy-?
You can request a quote for 1H-Indole-3-butanoic acid, 2-carboxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-3-butanoic acid, 2-carboxy-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-butanoic acid, 2-carboxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.