2-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione
TL;DR: 2-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione (CAS 29874-34-8) is a chemical compound with molecular formula C17H10O4 and molecular weight 278.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylidene)indene-1,3-dione
Also Known As: 2-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione, BAS 00457624, 2-(1,3-benzodioxol-5-ylmethylidene)indene-1,3-dione, 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-2,3-dihydro-1H-indene-1,3-dione, 2-(BENZO[3,4-D]1,3-DIOXOLEN-5-YLMETHYLENE)INDANE-1,3-DIONE
| Molecular Formula | C17H10O4 |
|---|---|
| Molecular Weight | 278.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.05792 |
| Heavy Atoms | 21 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 29874-34-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=C3C(=O)C4=CC=CC=C4C3=O |
| InChIKey | KFHYAPITKWBLHB-UHFFFAOYSA-N |
Product Overview
2-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione (CAS 29874-34-8), with molecular formula C17H10O4 and molecular weight 278.06 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylidene)indene-1,3-dione.
Chemical Property Profile of 2-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione
Property Insights of 2-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione
The XLogP value of 3.3 indicates that 2-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione has 0 hydrogen bond donor(s) and 4 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-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione?
The CAS number of 2-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione is 29874-34-8.
What is the molecular formula of 2-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione?
The molecular formula of 2-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione is C17H10O4.
What is the molecular weight of 2-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione?
The molecular weight of 2-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione is 278.06 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione?
You can request a quote for 2-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-ylmethylene)-1H-indene-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.