(S)-3-(1H-Indol-3-yl)-2-(4-1H-indol-3-yl-butyrylamino)-propionic acid
TL;DR: (S)-3-(1H-Indol-3-yl)-2-(4-1H-indol-3-yl-butyrylamino)-propionic acid (CAS 406726-77-0) is a chemical compound with molecular formula C23H23N3O3 and molecular weight 389.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(1H-indol-3-yl)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
Also Known As: IBA-L-Trp, n-(3-indolylbutyryl)-l-tryptophan, Indolebutyric acid-tryptophan conjugate, N-[4-(1H-indol-3-yl)butanoyl]-L-tryptophan, (4-(1H-Indol-3-yl)butanoyl)-L-tryptophan
| Molecular Formula | C23H23N3O3 |
|---|---|
| Molecular Weight | 389.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.17395 |
| Heavy Atoms | 29 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 406726-77-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCCC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O |
| InChIKey | GRYPOWRGNBRVGT-NRFANRHFSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(S)-3-(1H-Indol-3-yl)-2-(4-1H-indol-3-yl-butyrylamino)-propionic acid (CAS 406726-77-0), with molecular formula C23H23N3O3 and molecular weight 389.17 g/mol. IUPAC: (2S)-3-(1H-indol-3-yl)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid.
Chemical Property Profile of (S)-3-(1H-Indol-3-yl)-2-(4-1H-indol-3-yl-butyrylamino)-propionic acid
Property Insights of (S)-3-(1H-Indol-3-yl)-2-(4-1H-indol-3-yl-butyrylamino)-propionic acid
The XLogP value of 3.2 indicates that (S)-3-(1H-Indol-3-yl)-2-(4-1H-indol-3-yl-butyrylamino)-propionic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-(1H-Indol-3-yl)-2-(4-1H-indol-3-yl-butyrylamino)-propionic acid. Following Lipinski's Rule of Five, (S)-3-(1H-Indol-3-yl)-2-(4-1H-indol-3-yl-butyrylamino)-propionic acid has 4 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 (S)-3-(1H-Indol-3-yl)-2-(4-1H-indol-3-yl-butyrylamino)-propionic acid?
The CAS number of (S)-3-(1H-Indol-3-yl)-2-(4-1H-indol-3-yl-butyrylamino)-propionic acid is 406726-77-0.
What is the molecular formula of (S)-3-(1H-Indol-3-yl)-2-(4-1H-indol-3-yl-butyrylamino)-propionic acid?
The molecular formula of (S)-3-(1H-Indol-3-yl)-2-(4-1H-indol-3-yl-butyrylamino)-propionic acid is C23H23N3O3.
What is the molecular weight of (S)-3-(1H-Indol-3-yl)-2-(4-1H-indol-3-yl-butyrylamino)-propionic acid?
The molecular weight of (S)-3-(1H-Indol-3-yl)-2-(4-1H-indol-3-yl-butyrylamino)-propionic acid is 389.17 g/mol.
Where can I buy (S)-3-(1H-Indol-3-yl)-2-(4-1H-indol-3-yl-butyrylamino)-propionic acid?
You can request a quote for (S)-3-(1H-Indol-3-yl)-2-(4-1H-indol-3-yl-butyrylamino)-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-(1H-Indol-3-yl)-2-(4-1H-indol-3-yl-butyrylamino)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(1H-Indol-3-yl)-2-(4-1H-indol-3-yl-butyrylamino)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.