2-(1-butylpyridin-4(1H)-ylidene)-1H-indene-1,3(2H)-dione
TL;DR: 2-(1-butylpyridin-4(1H)-ylidene)-1H-indene-1,3(2H)-dione (CAS 49803-34-1) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-butyl-4-pyridinylidene)indene-1,3-dione
Also Known As: BAS 00069084, 2-(1-butylpyridin-4-ylidene)indene-1,3-dione, 2-(1-Butyl-1H-pyridin-4-ylidene)-indan-1,3-dione, 2-(1-butylpyridin-4(1H)-ylidene)-1H-indene-1,3(2H)-dione, 2-(1-butyl-1,4-dihydropyridin-4-ylidene)-2,3-dihydro-1H-indene-1,3-dione
| Molecular Formula | C18H17NO2 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 3.5053 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.12592 |
| Heavy Atoms | 21 |
| Complexity | 641.9248 |
Chemical Identifiers
| CAS Number | 49803-34-1 |
|---|---|
| SMILES | CCCCN1C=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=C1 |
Product Overview
2-(1-butylpyridin-4(1H)-ylidene)-1H-indene-1,3(2H)-dione (CAS 49803-34-1), with molecular formula C18H17NO2 and molecular weight 279.13 g/mol. IUPAC: 2-(1-butyl-4-pyridinylidene)indene-1,3-dione.
Chemical Property Profile of 2-(1-butylpyridin-4(1H)-ylidene)-1H-indene-1,3(2H)-dione
Property Insights of 2-(1-butylpyridin-4(1H)-ylidene)-1H-indene-1,3(2H)-dione
The XLogP value of 3.5053 indicates that 2-(1-butylpyridin-4(1H)-ylidene)-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 37.38 Ų, 2-(1-butylpyridin-4(1H)-ylidene)-1H-indene-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-butylpyridin-4(1H)-ylidene)-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-(1-butylpyridin-4(1H)-ylidene)-1H-indene-1,3(2H)-dione?
The CAS number of 2-(1-butylpyridin-4(1H)-ylidene)-1H-indene-1,3(2H)-dione is 49803-34-1.
What is the molecular formula of 2-(1-butylpyridin-4(1H)-ylidene)-1H-indene-1,3(2H)-dione?
The molecular formula of 2-(1-butylpyridin-4(1H)-ylidene)-1H-indene-1,3(2H)-dione is C18H17NO2.
What is the molecular weight of 2-(1-butylpyridin-4(1H)-ylidene)-1H-indene-1,3(2H)-dione?
The molecular weight of 2-(1-butylpyridin-4(1H)-ylidene)-1H-indene-1,3(2H)-dione is 279.13 g/mol.
Where can I buy 2-(1-butylpyridin-4(1H)-ylidene)-1H-indene-1,3(2H)-dione?
You can request a quote for 2-(1-butylpyridin-4(1H)-ylidene)-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-butylpyridin-4(1H)-ylidene)-1H-indene-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-butylpyridin-4(1H)-ylidene)-1H-indene-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.