2-Dodecylthiophene
TL;DR: 2-Dodecylthiophene (CAS 4861-61-4) is a chemical compound with molecular formula C16H28S and molecular weight 252.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dodecylthiophene
Also Known As: 2-Dodecylthiophene, dodecylthiophene, Thiophene, 2-dodecyl-, 2-n-dodecylthiophene, 2-Dodecylthiophene #
| Molecular Formula | C16H28S |
|---|---|
| Molecular Weight | 252.19 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Exact Mass | 252.19118 |
| Heavy Atoms | 17 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 4861-61-4 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=CS1 |
| InChIKey | NJPMFDNZCLKTHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Dodecylthiophene (CAS 4861-61-4), with molecular formula C16H28S and molecular weight 252.19 g/mol. IUPAC: 2-dodecylthiophene.
Chemical Property Profile of 2-Dodecylthiophene
Property Insights of 2-Dodecylthiophene
The XLogP value of 7.7 indicates that 2-Dodecylthiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 2-Dodecylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Dodecylthiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Dodecylthiophene?
The CAS number of 2-Dodecylthiophene is 4861-61-4.
What is the molecular formula of 2-Dodecylthiophene?
The molecular formula of 2-Dodecylthiophene is C16H28S.
What is the molecular weight of 2-Dodecylthiophene?
The molecular weight of 2-Dodecylthiophene is 252.19 g/mol.
Where can I buy 2-Dodecylthiophene?
You can request a quote for 2-Dodecylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Dodecylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Dodecylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.