Phenoxathiin, 2,8-difluoro-
TL;DR: Phenoxathiin, 2,8-difluoro- (CAS 3074-35-9) is a chemical compound with molecular formula C12H6F2OS and molecular weight 236.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,8-difluorophenoxathiine
Also Known As: 2,8-difluorophenoxathiine, Phenoxathiin, 2,8-difluoro-, 2,8-Difluorphenoxathiin, Phenoxathiin,2,8-difluoro-, RefChem:369580
| Molecular Formula | C12H6F2OS |
|---|---|
| Molecular Weight | 236.01 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 236.01074 |
| Heavy Atoms | 16 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 3074-35-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)SC3=C(O2)C=CC(=C3)F |
| InChIKey | BGVHXQMRCYDRDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenoxathiin, 2,8-difluoro- (CAS 3074-35-9), with molecular formula C12H6F2OS and molecular weight 236.01 g/mol. IUPAC: 2,8-difluorophenoxathiine.
Chemical Property Profile of Phenoxathiin, 2,8-difluoro-
Property Insights of Phenoxathiin, 2,8-difluoro-
The XLogP value of 4.7 indicates that Phenoxathiin, 2,8-difluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, Phenoxathiin, 2,8-difluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenoxathiin, 2,8-difluoro- has 0 hydrogen bond donor(s) and 4 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 Phenoxathiin, 2,8-difluoro-?
The CAS number of Phenoxathiin, 2,8-difluoro- is 3074-35-9.
What is the molecular formula of Phenoxathiin, 2,8-difluoro-?
The molecular formula of Phenoxathiin, 2,8-difluoro- is C12H6F2OS.
What is the molecular weight of Phenoxathiin, 2,8-difluoro-?
The molecular weight of Phenoxathiin, 2,8-difluoro- is 236.01 g/mol.
Where can I buy Phenoxathiin, 2,8-difluoro-?
You can request a quote for Phenoxathiin, 2,8-difluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenoxathiin, 2,8-difluoro-?
Yes, KEHONG BIO provides custom synthesis services for Phenoxathiin, 2,8-difluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.