2-((3,4-Dimethoxyphenyl)methylidene)-1H-indene-1,3(2H)-dione
TL;DR: 2-((3,4-Dimethoxyphenyl)methylidene)-1H-indene-1,3(2H)-dione (CAS 58161-74-3) is a chemical compound with molecular formula C18H14O4 and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dimethoxyphenyl)methylidene]indene-1,3-dione
Also Known As: 2-Veratryliden-indan-1,3-dion, 2-(3,4-Dimethoxybenzylidene)-1H-indene-1,3(2H)-dione, J2.434.792C, 2-(3,4-Dimethoxybenzylidene)-1,3-indandione, 2-[(3,4-dimethoxyphenyl)methylidene]indene-1,3-dione
| Molecular Formula | C18H14O4 |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.0892 |
| Heavy Atoms | 22 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 58161-74-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=C2C(=O)C3=CC=CC=C3C2=O)OC |
| InChIKey | OVHSLRSKIAKFOH-UHFFFAOYSA-N |
Product Overview
2-((3,4-Dimethoxyphenyl)methylidene)-1H-indene-1,3(2H)-dione (CAS 58161-74-3), with molecular formula C18H14O4 and molecular weight 294.09 g/mol. IUPAC: 2-[(3,4-dimethoxyphenyl)methylidene]indene-1,3-dione.
Chemical Property Profile of 2-((3,4-Dimethoxyphenyl)methylidene)-1H-indene-1,3(2H)-dione
Property Insights of 2-((3,4-Dimethoxyphenyl)methylidene)-1H-indene-1,3(2H)-dione
The XLogP value of 3.4 indicates that 2-((3,4-Dimethoxyphenyl)methylidene)-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-((3,4-Dimethoxyphenyl)methylidene)-1H-indene-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3,4-Dimethoxyphenyl)methylidene)-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-((3,4-Dimethoxyphenyl)methylidene)-1H-indene-1,3(2H)-dione?
The CAS number of 2-((3,4-Dimethoxyphenyl)methylidene)-1H-indene-1,3(2H)-dione is 58161-74-3.
What is the molecular formula of 2-((3,4-Dimethoxyphenyl)methylidene)-1H-indene-1,3(2H)-dione?
The molecular formula of 2-((3,4-Dimethoxyphenyl)methylidene)-1H-indene-1,3(2H)-dione is C18H14O4.
What is the molecular weight of 2-((3,4-Dimethoxyphenyl)methylidene)-1H-indene-1,3(2H)-dione?
The molecular weight of 2-((3,4-Dimethoxyphenyl)methylidene)-1H-indene-1,3(2H)-dione is 294.09 g/mol.
Where can I buy 2-((3,4-Dimethoxyphenyl)methylidene)-1H-indene-1,3(2H)-dione?
You can request a quote for 2-((3,4-Dimethoxyphenyl)methylidene)-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-((3,4-Dimethoxyphenyl)methylidene)-1H-indene-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-((3,4-Dimethoxyphenyl)methylidene)-1H-indene-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.