1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)-
TL;DR: 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)- (CAS 54752-43-1) is a chemical compound with molecular formula C17H12O3 and molecular weight 264.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3H-inden-1-one
Also Known As: 2,3-Dihydro-2-(1,3-benzodioxol-5-ylmethylene)-1H-inden-1-one, 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)-, (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3H-inden-1-one, (2E)-2-[(2H-1,3-Benzodioxol-5-yl)methylidene]-2,3-dihydro- 1H-inden-1-one, RefChem:1058100
| Molecular Formula | C17H12O3 |
|---|---|
| Molecular Weight | 264.08 g/mol |
| LogP | 3.2377 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.07864 |
| Heavy Atoms | 20 |
| Complexity | 743.6504 |
Chemical Identifiers
| CAS Number | 54752-43-1 |
|---|---|
| SMILES | C\1C2=CC=CC=C2C(=O)/C1=C/C3=CC4=C(C=C3)OCO4 |
Product Overview
1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)- (CAS 54752-43-1), with molecular formula C17H12O3 and molecular weight 264.08 g/mol. IUPAC: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3H-inden-1-one.
Chemical Property Profile of 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)-
Property Insights of 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)-
The XLogP value of 3.2377 indicates that 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)- 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 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)-?
The CAS number of 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)- is 54752-43-1.
What is the molecular formula of 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)-?
The molecular formula of 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)- is C17H12O3.
What is the molecular weight of 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)-?
The molecular weight of 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)- is 264.08 g/mol.
Where can I buy 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)-?
You can request a quote for 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.