(2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid
TL;DR: (2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid (CAS 118546-30-8) is a chemical compound with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
Also Known As: Indole-3-butyryl-l-alanine, IBA-L-Ala, Indolebutyric acid-alanine conjugate, (2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid, (2S)-2-[4-(1H-INDOL-3-YL)BUTANAMIDO]PROPANOIC ACID
| Molecular Formula | C15H18N2O3 |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.13174 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 118546-30-8 |
|---|---|
| SMILES | C[C@@H](C(=O)O)NC(=O)CCCC1=CNC2=CC=CC=C21 |
| InChIKey | FSWQIRAILVPQQO-JTQLQIEISA-N |
Product Overview
(2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid (CAS 118546-30-8), with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol. IUPAC: (2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid.
Chemical Property Profile of (2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid
Property Insights of (2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid. Following Lipinski's Rule of Five, (2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic 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 (2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid?
The CAS number of (2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid is 118546-30-8.
What is the molecular formula of (2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid?
The molecular formula of (2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid is C15H18N2O3.
What is the molecular weight of (2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid?
The molecular weight of (2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid is 274.13 g/mol.
Where can I buy (2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid?
You can request a quote for (2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.