Indol-3-ylacetylinositol
TL;DR: Indol-3-ylacetylinositol (CAS 23784-11-4) is a chemical compound with molecular formula C16H19NO7 and molecular weight 337.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentahydroxycyclohexyl) 2-(1H-indol-3-yl)acetate
Also Known As: Iaa-inositol, Indol-3-ylacetylinositol, Indol-3-ylacetyl-myoinositol, (2,3,4,5,6-pentahydroxycyclohexyl) 2-(1H-indol-3-yl)acetate, myo-Inositol, 1-(1H-indole-3-acetate)
| Molecular Formula | C16H19NO7 |
|---|---|
| Molecular Weight | 337.12 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.11615 |
| Heavy Atoms | 24 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 23784-11-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC(=O)OC3C(C(C(C(C3O)O)O)O)O |
| InChIKey | XUACNUJFOIKYPQ-UHFFFAOYSA-N |
Product Overview
Indol-3-ylacetylinositol (CAS 23784-11-4), with molecular formula C16H19NO7 and molecular weight 337.12 g/mol. IUPAC: (2,3,4,5,6-pentahydroxycyclohexyl) 2-(1H-indol-3-yl)acetate.
Chemical Property Profile of Indol-3-ylacetylinositol
Property Insights of Indol-3-ylacetylinositol
The XLogP value of -1.5 indicates that Indol-3-ylacetylinositol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting Indol-3-ylacetylinositol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Indol-3-ylacetylinositol has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Indol-3-ylacetylinositol?
The CAS number of Indol-3-ylacetylinositol is 23784-11-4.
What is the molecular formula of Indol-3-ylacetylinositol?
The molecular formula of Indol-3-ylacetylinositol is C16H19NO7.
What is the molecular weight of Indol-3-ylacetylinositol?
The molecular weight of Indol-3-ylacetylinositol is 337.12 g/mol.
Where can I buy Indol-3-ylacetylinositol?
You can request a quote for Indol-3-ylacetylinositol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indol-3-ylacetylinositol?
Yes, KEHONG BIO provides custom synthesis services for Indol-3-ylacetylinositol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.