2-dodecyl-9H-thioxanthen-9-one
TL;DR: 2-dodecyl-9H-thioxanthen-9-one (CAS 82799-46-0) is a chemical compound with molecular formula C25H32OS and molecular weight 380.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dodecylthioxanthen-9-one
Also Known As: 2-Dodecyl-9H-thioxanthen-9-one, 2-dodecylthioxanthen-9-one, 9H-Thioxanthen-9-one,2-dodecyl-, 280-043-1, EINECS 280-043-1
| Molecular Formula | C25H32OS |
|---|---|
| Molecular Weight | 380.22 g/mol |
| LogP | 10.2 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 380.21738 |
| Heavy Atoms | 27 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 82799-46-0 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O |
| InChIKey | JSLWEMZSKIWXQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-dodecyl-9H-thioxanthen-9-one (CAS 82799-46-0), with molecular formula C25H32OS and molecular weight 380.22 g/mol. IUPAC: 2-dodecylthioxanthen-9-one.
Chemical Property Profile of 2-dodecyl-9H-thioxanthen-9-one
Property Insights of 2-dodecyl-9H-thioxanthen-9-one
The XLogP value of 10.2 indicates that 2-dodecyl-9H-thioxanthen-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 2-dodecyl-9H-thioxanthen-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-dodecyl-9H-thioxanthen-9-one 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-dodecyl-9H-thioxanthen-9-one?
The CAS number of 2-dodecyl-9H-thioxanthen-9-one is 82799-46-0.
What is the molecular formula of 2-dodecyl-9H-thioxanthen-9-one?
The molecular formula of 2-dodecyl-9H-thioxanthen-9-one is C25H32OS.
What is the molecular weight of 2-dodecyl-9H-thioxanthen-9-one?
The molecular weight of 2-dodecyl-9H-thioxanthen-9-one is 380.22 g/mol.
Where can I buy 2-dodecyl-9H-thioxanthen-9-one?
You can request a quote for 2-dodecyl-9H-thioxanthen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-dodecyl-9H-thioxanthen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 2-dodecyl-9H-thioxanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.