3-(1H-indol-3-yl)butanoic acid
TL;DR: 3-(1H-indol-3-yl)butanoic acid (CAS 35871-55-7) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-indol-3-yl)butanoic acid
Also Known As: 3-(1H-indol-3-yl)butanoic acid, 3-(1H-Indol-3-yl)-butyric acid, 3- -BUTYRICACID, 3-indol-3-ylbutanoic acid, 3-(3-indolyl)butyric acid
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 35871-55-7 |
|---|---|
| SMILES | CC(CC(=O)O)C1=CNC2=CC=CC=C21 |
| InChIKey | IKTJMKYSKNYTJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1H-indol-3-yl)butanoic acid (CAS 35871-55-7), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 3-(1H-indol-3-yl)butanoic acid.
Chemical Property Profile of 3-(1H-indol-3-yl)butanoic acid
Property Insights of 3-(1H-indol-3-yl)butanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-indol-3-yl)butanoic acid. With a topological polar surface area (TPSA) of 53.1 Ų, 3-(1H-indol-3-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1H-indol-3-yl)butanoic acid has 2 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 3-(1H-indol-3-yl)butanoic acid?
The CAS number of 3-(1H-indol-3-yl)butanoic acid is 35871-55-7.
What is the molecular formula of 3-(1H-indol-3-yl)butanoic acid?
The molecular formula of 3-(1H-indol-3-yl)butanoic acid is C12H13NO2.
What is the molecular weight of 3-(1H-indol-3-yl)butanoic acid?
The molecular weight of 3-(1H-indol-3-yl)butanoic acid is 203.09 g/mol.
Where can I buy 3-(1H-indol-3-yl)butanoic acid?
You can request a quote for 3-(1H-indol-3-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-indol-3-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-indol-3-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.