Indolebutyroyl aspartic acid
TL;DR: Indolebutyroyl aspartic acid (CAS 101289-65-0) is a chemical compound with molecular formula C16H18N2O5 and molecular weight 318.12 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]butanedioic acid
Also Known As: Auxistim A, Indolebutyroyl aspartic acid, Indole-3-butyryl-l-alanine, Indole-3-butyryl-L-aspartic Acid, Aspartic acid, N-4-indol-3-ylbutyryl-, L-
| Molecular Formula | C16H18N2O5 |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 1.5347 |
| Topological Polar Surface Area | 119.49 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 318.12158 |
| Heavy Atoms | 23 |
| Complexity | 722.0838 |
Chemical Identifiers
| CAS Number | 101289-65-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCCC(=O)N[C@@H](CC(=O)O)C(=O)O |
Product Overview
Indolebutyroyl aspartic acid (CAS 101289-65-0), with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol. IUPAC: (2S)-2-[4-(1H-indol-3-yl)butanoylamino]butanedioic acid.
Chemical Property Profile of Indolebutyroyl aspartic acid
Property Insights of Indolebutyroyl aspartic acid
The XLogP value of 1.5347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indolebutyroyl aspartic acid. The TPSA of 119.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Indolebutyroyl aspartic acid. Following Lipinski's Rule of Five, Indolebutyroyl aspartic 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 Indolebutyroyl aspartic acid?
The CAS number of Indolebutyroyl aspartic acid is 101289-65-0.
What is the molecular formula of Indolebutyroyl aspartic acid?
The molecular formula of Indolebutyroyl aspartic acid is C16H18N2O5.
What is the molecular weight of Indolebutyroyl aspartic acid?
The molecular weight of Indolebutyroyl aspartic acid is 318.12 g/mol.
Where can I buy Indolebutyroyl aspartic acid?
You can request a quote for Indolebutyroyl aspartic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indolebutyroyl aspartic acid?
Yes, KEHONG BIO provides custom synthesis services for Indolebutyroyl aspartic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.