![3-pyridyl[?]dione structure](/static/products/3271/327106-52-5.webp)
3-pyridyl[?]dione
TL;DR: 3-pyridyl[?]dione (CAS 327106-52-5) is a chemical compound with molecular formula C24H13NO5 and molecular weight 395.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-pyridin-3-yl-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,17,19,21-octaene-11,15-dione
Also Known As: 3-pyridyl[?]dione, 3-pyridylidene-4,4^1-epoxy dicoumarin, 13-(pyridin-3-yl)-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione
| Molecular Formula | C24H13NO5 |
|---|---|
| Molecular Weight | 395.08 g/mol |
| LogP | 4.5803 |
| Topological Polar Surface Area | 82.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 395.07938 |
| Heavy Atoms | 30 |
| Complexity | 1467.2764 |
Chemical Identifiers
| CAS Number | 327106-52-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C(C4=C(O3)C5=CC=CC=C5OC4=O)C6=CN=CC=C6)C(=O)O2 |
Product Overview
3-pyridyl[?]dione (CAS 327106-52-5), with molecular formula C24H13NO5 and molecular weight 395.08 g/mol. IUPAC: 13-pyridin-3-yl-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,17,19,21-octaene-11,15-dione.
Chemical Property Profile of 3-pyridyl[?]dione
Property Insights of 3-pyridyl[?]dione
The XLogP value of 4.5803 indicates that 3-pyridyl[?]dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-pyridyl[?]dione. Following Lipinski's Rule of Five, 3-pyridyl[?]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 3-pyridyl[?]dione?
The CAS number of 3-pyridyl[?]dione is 327106-52-5.
What is the molecular formula of 3-pyridyl[?]dione?
The molecular formula of 3-pyridyl[?]dione is C24H13NO5.
What is the molecular weight of 3-pyridyl[?]dione?
The molecular weight of 3-pyridyl[?]dione is 395.08 g/mol.
Where can I buy 3-pyridyl[?]dione?
You can request a quote for 3-pyridyl[?]dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-pyridyl[?]dione?
Yes, KEHONG BIO provides custom synthesis services for 3-pyridyl[?]dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.