2-Methoxythioxanthone
TL;DR: 2-Methoxythioxanthone (CAS 40478-82-8) is a chemical compound with molecular formula C14H10O2S and molecular weight 242.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxythioxanthen-9-one
Also Known As: 2-Methoxy-9H-thioxanthen-9-one, 2-methoxythioxanthone, 2-methoxythioxanthen-9-one, 2-Methoxy-thioxanthen-9-one, 9H-Thioxanthen-9-one, 2-methoxy-
| Molecular Formula | C14H10O2S |
|---|---|
| Molecular Weight | 242.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.04015 |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 40478-82-8 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O |
| InChIKey | NOYRFDHEJYWIHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxythioxanthone (CAS 40478-82-8), with molecular formula C14H10O2S and molecular weight 242.04 g/mol. IUPAC: 2-methoxythioxanthen-9-one.
Chemical Property Profile of 2-Methoxythioxanthone
Property Insights of 2-Methoxythioxanthone
The XLogP value of 4.0 indicates that 2-Methoxythioxanthone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, 2-Methoxythioxanthone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxythioxanthone has 0 hydrogen bond donor(s) and 3 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 2-Methoxythioxanthone?
The CAS number of 2-Methoxythioxanthone is 40478-82-8.
What is the molecular formula of 2-Methoxythioxanthone?
The molecular formula of 2-Methoxythioxanthone is C14H10O2S.
What is the molecular weight of 2-Methoxythioxanthone?
The molecular weight of 2-Methoxythioxanthone is 242.04 g/mol.
Where can I buy 2-Methoxythioxanthone?
You can request a quote for 2-Methoxythioxanthone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxythioxanthone?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxythioxanthone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.