2-Octadecanoylthiophene
TL;DR: 2-Octadecanoylthiophene (CAS 4444-90-0) is a chemical compound with molecular formula C22H38OS and molecular weight 350.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thiophen-2-yloctadecan-1-one
Also Known As: 1-thiophen-2-yloctadecan-1-one, 2-OCTADECANOYLTHIOPHENE, 1-(2-thienyl)octadecan-1-one, 1-(THIOPHEN-2-YL)OCTADECAN-1-ONE, 659-429-2
| Molecular Formula | C22H38OS |
|---|---|
| Molecular Weight | 350.26 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 350.26434 |
| Heavy Atoms | 24 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 4444-90-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)C1=CC=CS1 |
| InChIKey | OUMNVFUQHYWVSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Octadecanoylthiophene (CAS 4444-90-0), with molecular formula C22H38OS and molecular weight 350.26 g/mol. IUPAC: 1-thiophen-2-yloctadecan-1-one.
Chemical Property Profile of 2-Octadecanoylthiophene
Property Insights of 2-Octadecanoylthiophene
The XLogP value of 10.0 indicates that 2-Octadecanoylthiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 2-Octadecanoylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octadecanoylthiophene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Octadecanoylthiophene?
The CAS number of 2-Octadecanoylthiophene is 4444-90-0.
What is the molecular formula of 2-Octadecanoylthiophene?
The molecular formula of 2-Octadecanoylthiophene is C22H38OS.
What is the molecular weight of 2-Octadecanoylthiophene?
The molecular weight of 2-Octadecanoylthiophene is 350.26 g/mol.
Where can I buy 2-Octadecanoylthiophene?
You can request a quote for 2-Octadecanoylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octadecanoylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Octadecanoylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.