2-acetyl-3-hydroxy-1H-inden-1-one
TL;DR: 2-acetyl-3-hydroxy-1H-inden-1-one (CAS 70450-80-5) is a chemical compound with molecular formula C11H8O3 and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-3-hydroxyinden-1-one
Also Known As: 2-acetyl-3-hydroxy-1H-inden-1-one, 2-acetyl-3-hydroxyinden-1-one, 2-Acetyl-3-hydroxy-1H-indene-1-one, 2-(1-Hydroxyethylidene)indan-1,3-dione, J2.364.073B
| Molecular Formula | C11H8O3 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.04735 |
| Heavy Atoms | 14 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 70450-80-5 |
|---|---|
| SMILES | CC(=O)C1=C(C2=CC=CC=C2C1=O)O |
| InChIKey | KORQFSMIUXHWJX-UHFFFAOYSA-N |
Product Overview
2-acetyl-3-hydroxy-1H-inden-1-one (CAS 70450-80-5), with molecular formula C11H8O3 and molecular weight 188.05 g/mol. IUPAC: 2-acetyl-3-hydroxyinden-1-one.
Chemical Property Profile of 2-acetyl-3-hydroxy-1H-inden-1-one
Property Insights of 2-acetyl-3-hydroxy-1H-inden-1-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-acetyl-3-hydroxy-1H-inden-1-one. With a topological polar surface area (TPSA) of 54.4 Ų, 2-acetyl-3-hydroxy-1H-inden-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-acetyl-3-hydroxy-1H-inden-1-one has 1 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 2-acetyl-3-hydroxy-1H-inden-1-one?
The CAS number of 2-acetyl-3-hydroxy-1H-inden-1-one is 70450-80-5.
What is the molecular formula of 2-acetyl-3-hydroxy-1H-inden-1-one?
The molecular formula of 2-acetyl-3-hydroxy-1H-inden-1-one is C11H8O3.
What is the molecular weight of 2-acetyl-3-hydroxy-1H-inden-1-one?
The molecular weight of 2-acetyl-3-hydroxy-1H-inden-1-one is 188.05 g/mol.
Where can I buy 2-acetyl-3-hydroxy-1H-inden-1-one?
You can request a quote for 2-acetyl-3-hydroxy-1H-inden-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-acetyl-3-hydroxy-1H-inden-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-acetyl-3-hydroxy-1H-inden-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.