2-((4-(Dimethylamino)phenyl)methylene)-1H-indene-1,3(2H)-dione
TL;DR: 2-((4-(Dimethylamino)phenyl)methylene)-1H-indene-1,3(2H)-dione (CAS 21889-13-4) is a chemical compound with molecular formula C18H15NO2 and molecular weight 277.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(dimethylamino)phenyl]methylidene]indene-1,3-dione
Also Known As: DMABI, 1,3-Indandione, 2-(p-dimethylaminobenzylidene)-, N,N-dimethylaminobenzylidene-1,3-indandione, 2-(4-(Dimethylamino)benzylidene)-1H-indene-1,3(2H)-dione, 2-[4-(Dimethylamino)benzylidene]-1,3-indandione
| Molecular Formula | C18H15NO2 |
|---|---|
| Molecular Weight | 277.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.1103 |
| Heavy Atoms | 21 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 21889-13-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | ZIOQBZBVYRPMRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((4-(Dimethylamino)phenyl)methylene)-1H-indene-1,3(2H)-dione (CAS 21889-13-4), with molecular formula C18H15NO2 and molecular weight 277.11 g/mol. IUPAC: 2-[[4-(dimethylamino)phenyl]methylidene]indene-1,3-dione.
Chemical Property Profile of 2-((4-(Dimethylamino)phenyl)methylene)-1H-indene-1,3(2H)-dione
Property Insights of 2-((4-(Dimethylamino)phenyl)methylene)-1H-indene-1,3(2H)-dione
The XLogP value of 3.6 indicates that 2-((4-(Dimethylamino)phenyl)methylene)-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 37.4 Ų, 2-((4-(Dimethylamino)phenyl)methylene)-1H-indene-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-(Dimethylamino)phenyl)methylene)-1H-indene-1,3(2H)-dione 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 2-((4-(Dimethylamino)phenyl)methylene)-1H-indene-1,3(2H)-dione?
The CAS number of 2-((4-(Dimethylamino)phenyl)methylene)-1H-indene-1,3(2H)-dione is 21889-13-4.
What is the molecular formula of 2-((4-(Dimethylamino)phenyl)methylene)-1H-indene-1,3(2H)-dione?
The molecular formula of 2-((4-(Dimethylamino)phenyl)methylene)-1H-indene-1,3(2H)-dione is C18H15NO2.
What is the molecular weight of 2-((4-(Dimethylamino)phenyl)methylene)-1H-indene-1,3(2H)-dione?
The molecular weight of 2-((4-(Dimethylamino)phenyl)methylene)-1H-indene-1,3(2H)-dione is 277.11 g/mol.
Where can I buy 2-((4-(Dimethylamino)phenyl)methylene)-1H-indene-1,3(2H)-dione?
You can request a quote for 2-((4-(Dimethylamino)phenyl)methylene)-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-((4-(Dimethylamino)phenyl)methylene)-1H-indene-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(Dimethylamino)phenyl)methylene)-1H-indene-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.