(3S)-3-(1H-indol-3-yl)butanoic acid
TL;DR: (3S)-3-(1H-indol-3-yl)butanoic acid (CAS 214541-53-4) 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.
(3S)-3-(1H-indol-3-yl)butanoic acid
Also Known As: (S)-3-(3-Indolyl)butanoic acid, (3S)-3-(1H-indol-3-yl)butanoic acid, (S)-3-(1H-Indole-3-yl)butyric acid, (S)-3-(1H-Indol-3-yl)butanoic acid, (S)-3-(1H-Indole-3-yl)-butyric acid
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.7461 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 487.0827 |
Chemical Identifiers
| CAS Number | 214541-53-4 |
|---|---|
| SMILES | C[C@@H](CC(=O)O)C1=CNC2=CC=CC=C21 |
Product Overview
(3S)-3-(1H-indol-3-yl)butanoic acid (CAS 214541-53-4), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: (3S)-3-(1H-indol-3-yl)butanoic acid.
Chemical Property Profile of (3S)-3-(1H-indol-3-yl)butanoic acid
Property Insights of (3S)-3-(1H-indol-3-yl)butanoic acid
The XLogP value of 2.7461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-(1H-indol-3-yl)butanoic acid. With a topological polar surface area (TPSA) of 53.09 Ų, (3S)-3-(1H-indol-3-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-3-(1H-indol-3-yl)butanoic acid has 2 hydrogen bond donor(s) and 1 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 (3S)-3-(1H-indol-3-yl)butanoic acid?
The CAS number of (3S)-3-(1H-indol-3-yl)butanoic acid is 214541-53-4.
What is the molecular formula of (3S)-3-(1H-indol-3-yl)butanoic acid?
The molecular formula of (3S)-3-(1H-indol-3-yl)butanoic acid is C12H13NO2.
What is the molecular weight of (3S)-3-(1H-indol-3-yl)butanoic acid?
The molecular weight of (3S)-3-(1H-indol-3-yl)butanoic acid is 203.09 g/mol.
Where can I buy (3S)-3-(1H-indol-3-yl)butanoic acid?
You can request a quote for (3S)-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 (3S)-3-(1H-indol-3-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-(1H-indol-3-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.