2-((4,5-Dimethoxy-2-nitrophenyl)methylene)indane-1,3-dione
TL;DR: 2-((4,5-Dimethoxy-2-nitrophenyl)methylene)indane-1,3-dione (CAS 39597-32-5) is a chemical compound with molecular formula C18H13NO6 and molecular weight 339.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]indene-1,3-dione
Also Known As: 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]indene-1,3-dione, 2-((4,5-DIMETHOXY-2-NITROPHENYL)METHYLENE)INDANE-1,3-DIONE, 2-[(4,5-dimethoxy-2-nitro-phenyl)methylene]indane-1,3-dione
| Molecular Formula | C18H13NO6 |
|---|---|
| Molecular Weight | 339.07 g/mol |
| LogP | 3.0746 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.07428 |
| Heavy Atoms | 25 |
| Complexity | 907.57764 |
Chemical Identifiers
| CAS Number | 39597-32-5 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-])OC |
Product Overview
2-((4,5-Dimethoxy-2-nitrophenyl)methylene)indane-1,3-dione (CAS 39597-32-5), with molecular formula C18H13NO6 and molecular weight 339.07 g/mol. IUPAC: 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]indene-1,3-dione.
Chemical Property Profile of 2-((4,5-Dimethoxy-2-nitrophenyl)methylene)indane-1,3-dione
Property Insights of 2-((4,5-Dimethoxy-2-nitrophenyl)methylene)indane-1,3-dione
The XLogP value of 3.0746 indicates that 2-((4,5-Dimethoxy-2-nitrophenyl)methylene)indane-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4,5-Dimethoxy-2-nitrophenyl)methylene)indane-1,3-dione. Following Lipinski's Rule of Five, 2-((4,5-Dimethoxy-2-nitrophenyl)methylene)indane-1,3-dione has 0 hydrogen bond donor(s) and 6 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-((4,5-Dimethoxy-2-nitrophenyl)methylene)indane-1,3-dione?
The CAS number of 2-((4,5-Dimethoxy-2-nitrophenyl)methylene)indane-1,3-dione is 39597-32-5.
What is the molecular formula of 2-((4,5-Dimethoxy-2-nitrophenyl)methylene)indane-1,3-dione?
The molecular formula of 2-((4,5-Dimethoxy-2-nitrophenyl)methylene)indane-1,3-dione is C18H13NO6.
What is the molecular weight of 2-((4,5-Dimethoxy-2-nitrophenyl)methylene)indane-1,3-dione?
The molecular weight of 2-((4,5-Dimethoxy-2-nitrophenyl)methylene)indane-1,3-dione is 339.07 g/mol.
Where can I buy 2-((4,5-Dimethoxy-2-nitrophenyl)methylene)indane-1,3-dione?
You can request a quote for 2-((4,5-Dimethoxy-2-nitrophenyl)methylene)indane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4,5-Dimethoxy-2-nitrophenyl)methylene)indane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-((4,5-Dimethoxy-2-nitrophenyl)methylene)indane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.