1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo-
TL;DR: 1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo- (CAS 16345-00-9) is a chemical compound with molecular formula C13H17I2NO3 and molecular weight 488.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,5-diiodo-4-oxo-1-pyridinyl)octanoic acid
Also Known As: 8-(3,5-diiodo-4-oxopyridin-1-yl)octanoic acid, 1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo-, 1,4-Dihydro-3,5-diiodo-4-oxo-1-pyridineoctanoic acid, 1,4-Dihydro-3,5-diiodo-4-oxopyridine-1-octanoic acid, 5-21-07-00165 (Beilstein Handbook Reference)
| Molecular Formula | C13H17I2NO3 |
|---|---|
| Molecular Weight | 488.93 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.92978 |
| Heavy Atoms | 19 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 16345-00-9 |
|---|---|
| SMILES | C1=C(C(=O)C(=CN1CCCCCCCC(=O)O)I)I |
| InChIKey | PWAYCYFVSQNRFZ-UHFFFAOYSA-N |
Product Overview
1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo- (CAS 16345-00-9), with molecular formula C13H17I2NO3 and molecular weight 488.93 g/mol. IUPAC: 8-(3,5-diiodo-4-oxo-1-pyridinyl)octanoic acid.
Chemical Property Profile of 1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo-
Property Insights of 1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo-
The XLogP value of 3.2 indicates that 1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, 1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo- 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 1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo-?
The CAS number of 1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo- is 16345-00-9.
What is the molecular formula of 1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo-?
The molecular formula of 1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo- is C13H17I2NO3.
What is the molecular weight of 1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo-?
The molecular weight of 1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo- is 488.93 g/mol.
Where can I buy 1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo-?
You can request a quote for 1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyridineoctanoic acid, 1,4-dihydro-3,5-diiodo-4-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.