1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one
TL;DR: 1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one (CAS 54932-89-7) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-1,3-dihydroinden-1-yl) propanoate
Also Known As: 1,3-dihydro-1-2h-inden-2-one, 1,3-Dihydro-1- -2H-inden-2-one, 1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one, 2-oxo-2,3-dihydro-1H-inden-1-yl propanoate, 2H-Inden-2-one, 1,3-dihydro-1-(1-oxopropoxy)-
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 54932-89-7 |
|---|---|
| SMILES | CCC(=O)OC1C(=O)CC2=CC=CC=C12 |
| InChIKey | YXWCQDLOBFIPCX-UHFFFAOYSA-N |
Product Overview
1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one (CAS 54932-89-7), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: (2-oxo-1,3-dihydroinden-1-yl) propanoate.
Chemical Property Profile of 1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one
Property Insights of 1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one. With a topological polar surface area (TPSA) of 43.4 Ų, 1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one has 0 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 1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one?
The CAS number of 1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one is 54932-89-7.
What is the molecular formula of 1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one?
The molecular formula of 1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one is C12H12O3.
What is the molecular weight of 1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one?
The molecular weight of 1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one is 204.08 g/mol.
Where can I buy 1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one?
You can request a quote for 1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydro-1-(1-oxopropoxy)-2H-inden-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.