N-(1H-Indol-3-YL-acetyl)valine acid
TL;DR: N-(1H-Indol-3-YL-acetyl)valine acid (CAS 858232-69-6) 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-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
Also Known As: N-(3-Indolylacetyl)-L-valine, Indole-3-acetyl-L-valine, IAA-Val, N- -L-valine, N-[1H-INDOL-3-YL-ACETYL]VALINE ACID
| Molecular Formula | C15H18N2O3 |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.13174 |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 858232-69-6 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21 |
| InChIKey | AZEGJHGXTSUPPG-AWEZNQCLSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1H-Indol-3-YL-acetyl)valine acid (CAS 858232-69-6), with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol. IUPAC: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid.
Chemical Property Profile of N-(1H-Indol-3-YL-acetyl)valine acid
Property Insights of N-(1H-Indol-3-YL-acetyl)valine acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1H-Indol-3-YL-acetyl)valine acid. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1H-Indol-3-YL-acetyl)valine acid. Following Lipinski's Rule of Five, N-(1H-Indol-3-YL-acetyl)valine 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 N-(1H-Indol-3-YL-acetyl)valine acid?
The CAS number of N-(1H-Indol-3-YL-acetyl)valine acid is 858232-69-6.
What is the molecular formula of N-(1H-Indol-3-YL-acetyl)valine acid?
The molecular formula of N-(1H-Indol-3-YL-acetyl)valine acid is C15H18N2O3.
What is the molecular weight of N-(1H-Indol-3-YL-acetyl)valine acid?
The molecular weight of N-(1H-Indol-3-YL-acetyl)valine acid is 274.13 g/mol.
Where can I buy N-(1H-Indol-3-YL-acetyl)valine acid?
You can request a quote for N-(1H-Indol-3-YL-acetyl)valine acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1H-Indol-3-YL-acetyl)valine acid?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-Indol-3-YL-acetyl)valine acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.