1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)-
TL;DR: 1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)- (CAS 49803-30-7) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-ethyl-4-pyridinylidene)indene-1,3-dione
Also Known As: 2-(1-ethylpyridin-4-ylidene)indene-1,3-dione, 1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)-, 2-(1-Ethyl-4(1H)-pyridinylidene)-1,3-indandione, 2-[1-Ethylpyridin-4(1H)-ylidene]-1,3-indanedione, 2-(1-Ethyl-4(1H)-pyridinylidene)-1H-indene-1,3(2H)-dione
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.09464 |
| Heavy Atoms | 19 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 49803-30-7 |
|---|---|
| SMILES | CCN1C=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=C1 |
| InChIKey | XHNFURAQPBTAFS-UHFFFAOYSA-N |
Product Overview
1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)- (CAS 49803-30-7), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: 2-(1-ethyl-4-pyridinylidene)indene-1,3-dione.
Chemical Property Profile of 1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)-
Property Insights of 1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)-. With a topological polar surface area (TPSA) of 37.4 Ų, 1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)- 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 1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)-?
The CAS number of 1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)- is 49803-30-7.
What is the molecular formula of 1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)-?
The molecular formula of 1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)- is C16H13NO2.
What is the molecular weight of 1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)-?
The molecular weight of 1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)- is 251.09 g/mol.
Where can I buy 1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)-?
You can request a quote for 1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.