Indan-5-yl acetate
TL;DR: Indan-5-yl acetate (CAS 5440-82-4) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydro-1H-inden-5-yl acetate
Also Known As: Indan-5-yl acetate, indan-5-ylacetate, 2,3-dihydro-1h-inden-5-yl acetate, Essigsaeure-indan-5-ylester, acetic acid indan-5-ylester
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 5440-82-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(CCC2)C=C1 |
| InChIKey | RVAZTALKWVETPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indan-5-yl acetate (CAS 5440-82-4), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 2,3-dihydro-1H-inden-5-yl acetate.
Chemical Property Profile of Indan-5-yl acetate
Property Insights of Indan-5-yl acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indan-5-yl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Indan-5-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indan-5-yl acetate has 0 hydrogen bond donor(s) and 2 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 Indan-5-yl acetate?
The CAS number of Indan-5-yl acetate is 5440-82-4.
What is the molecular formula of Indan-5-yl acetate?
The molecular formula of Indan-5-yl acetate is C11H12O2.
What is the molecular weight of Indan-5-yl acetate?
The molecular weight of Indan-5-yl acetate is 176.08 g/mol.
Where can I buy Indan-5-yl acetate?
You can request a quote for Indan-5-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indan-5-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for Indan-5-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.