2-(4-butoxybenzylidene)-1H-indene-1,3(2H)-dione
TL;DR: 2-(4-butoxybenzylidene)-1H-indene-1,3(2H)-dione (CAS 178697-89-7) is a chemical compound with molecular formula C20H18O3 and molecular weight 306.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-butoxyphenyl)methylidene]indene-1,3-dione
Also Known As: 2-(4-butoxybenzylidene)-1H-indene-1,3(2H)-dione, 2-[(4-butoxyphenyl)methylidene]-2,3-dihydro-1H-indene-1,3-dione, 2-[(4-butoxyphenyl)methylidene]indene-1,3-dione, 2-[(4-butoxyphenyl)methylene]indane-1,3-dione, AB00082354-01
| Molecular Formula | C20H18O3 |
|---|---|
| Molecular Weight | 306.13 g/mol |
| LogP | 4.3281 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.12558 |
| Heavy Atoms | 23 |
| Complexity | 732.7287 |
Chemical Identifiers
| CAS Number | 178697-89-7 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3C2=O |
Product Overview
2-(4-butoxybenzylidene)-1H-indene-1,3(2H)-dione (CAS 178697-89-7), with molecular formula C20H18O3 and molecular weight 306.13 g/mol. IUPAC: 2-[(4-butoxyphenyl)methylidene]indene-1,3-dione.
Chemical Property Profile of 2-(4-butoxybenzylidene)-1H-indene-1,3(2H)-dione
Property Insights of 2-(4-butoxybenzylidene)-1H-indene-1,3(2H)-dione
The XLogP value of 4.3281 indicates that 2-(4-butoxybenzylidene)-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 43.37 Ų, 2-(4-butoxybenzylidene)-1H-indene-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-butoxybenzylidene)-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-butoxybenzylidene)-1H-indene-1,3(2H)-dione?
The CAS number of 2-(4-butoxybenzylidene)-1H-indene-1,3(2H)-dione is 178697-89-7.
What is the molecular formula of 2-(4-butoxybenzylidene)-1H-indene-1,3(2H)-dione?
The molecular formula of 2-(4-butoxybenzylidene)-1H-indene-1,3(2H)-dione is C20H18O3.
What is the molecular weight of 2-(4-butoxybenzylidene)-1H-indene-1,3(2H)-dione?
The molecular weight of 2-(4-butoxybenzylidene)-1H-indene-1,3(2H)-dione is 306.13 g/mol.
Where can I buy 2-(4-butoxybenzylidene)-1H-indene-1,3(2H)-dione?
You can request a quote for 2-(4-butoxybenzylidene)-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-butoxybenzylidene)-1H-indene-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-butoxybenzylidene)-1H-indene-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.