(5-Fluoropyridin-3-yl)methyl octadecanoate
TL;DR: (5-Fluoropyridin-3-yl)methyl octadecanoate (CAS 5469-75-0) is a chemical compound with molecular formula C24H40FNO2 and molecular weight 393.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-fluoro-3-pyridinyl)methyl octadecanoate
Also Known As: (5-fluoropyridin-3-yl)methyl octadecanoate, KST-1A5943, (5-Fluoro-3-pyridinyl)methyl octadecanoate, Octadecanoic acid, (5-fluoro-3-pyridinyl)methyl ester, 5-21-02-00181 (Beilstein Handbook Reference)
| Molecular Formula | C24H40FNO2 |
|---|---|
| Molecular Weight | 393.30 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 393.30432 |
| Heavy Atoms | 28 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 5469-75-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(=CN=C1)F |
| InChIKey | NDJPLQIPBRPDNK-UHFFFAOYSA-N |
Product Overview
(5-Fluoropyridin-3-yl)methyl octadecanoate (CAS 5469-75-0), with molecular formula C24H40FNO2 and molecular weight 393.30 g/mol. IUPAC: (5-fluoro-3-pyridinyl)methyl octadecanoate.
Chemical Property Profile of (5-Fluoropyridin-3-yl)methyl octadecanoate
Property Insights of (5-Fluoropyridin-3-yl)methyl octadecanoate
The XLogP value of 9.1 indicates that (5-Fluoropyridin-3-yl)methyl octadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, (5-Fluoropyridin-3-yl)methyl octadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Fluoropyridin-3-yl)methyl octadecanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5-Fluoropyridin-3-yl)methyl octadecanoate?
The CAS number of (5-Fluoropyridin-3-yl)methyl octadecanoate is 5469-75-0.
What is the molecular formula of (5-Fluoropyridin-3-yl)methyl octadecanoate?
The molecular formula of (5-Fluoropyridin-3-yl)methyl octadecanoate is C24H40FNO2.
What is the molecular weight of (5-Fluoropyridin-3-yl)methyl octadecanoate?
The molecular weight of (5-Fluoropyridin-3-yl)methyl octadecanoate is 393.30 g/mol.
Where can I buy (5-Fluoropyridin-3-yl)methyl octadecanoate?
You can request a quote for (5-Fluoropyridin-3-yl)methyl octadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Fluoropyridin-3-yl)methyl octadecanoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Fluoropyridin-3-yl)methyl octadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.