(3,5-diiodo-4-pyridone)-N-4-toluyl acid
TL;DR: (3,5-diiodo-4-pyridone)-N-4-toluyl acid (CAS 737-47-3) is a chemical compound with molecular formula C13H9I2NO3 and molecular weight 480.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,5-diiodo-4-oxo-1-pyridinyl)methyl]benzoic acid
Also Known As: (3,5-Diiodo-4-pyridone)-N-4-toluyl acid, (3,5-Diiodo-4-pyridone)-N-p-toluyl acid, 4-[(3,5-diiodo-4-oxopyridin-1(4h)-yl)methyl]benzoic acid, 4-[(3,5-diiodo-4-oxopyridin-1-yl)methyl]benzoic acid, Benzoic acid, 4-((3,5-diiodo-4-oxo-1(4H)-pyridinyl)methyl)-
| Molecular Formula | C13H9I2NO3 |
|---|---|
| Molecular Weight | 480.87 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 480.8672 |
| Heavy Atoms | 19 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 737-47-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=C(C(=O)C(=C2)I)I)C(=O)O |
| InChIKey | UMXSUJYEKPBIKC-UHFFFAOYSA-N |
Product Overview
(3,5-diiodo-4-pyridone)-N-4-toluyl acid (CAS 737-47-3), with molecular formula C13H9I2NO3 and molecular weight 480.87 g/mol. IUPAC: 4-[(3,5-diiodo-4-oxo-1-pyridinyl)methyl]benzoic acid.
Chemical Property Profile of (3,5-diiodo-4-pyridone)-N-4-toluyl acid
Property Insights of (3,5-diiodo-4-pyridone)-N-4-toluyl acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,5-diiodo-4-pyridone)-N-4-toluyl acid. With a topological polar surface area (TPSA) of 57.6 Ų, (3,5-diiodo-4-pyridone)-N-4-toluyl acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,5-diiodo-4-pyridone)-N-4-toluyl acid has 1 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 (3,5-diiodo-4-pyridone)-N-4-toluyl acid?
The CAS number of (3,5-diiodo-4-pyridone)-N-4-toluyl acid is 737-47-3.
What is the molecular formula of (3,5-diiodo-4-pyridone)-N-4-toluyl acid?
The molecular formula of (3,5-diiodo-4-pyridone)-N-4-toluyl acid is C13H9I2NO3.
What is the molecular weight of (3,5-diiodo-4-pyridone)-N-4-toluyl acid?
The molecular weight of (3,5-diiodo-4-pyridone)-N-4-toluyl acid is 480.87 g/mol.
Where can I buy (3,5-diiodo-4-pyridone)-N-4-toluyl acid?
You can request a quote for (3,5-diiodo-4-pyridone)-N-4-toluyl acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-diiodo-4-pyridone)-N-4-toluyl acid?
Yes, KEHONG BIO provides custom synthesis services for (3,5-diiodo-4-pyridone)-N-4-toluyl acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.