4-Chloro-2,8-difluorophenoxathiine
TL;DR: 4-Chloro-2,8-difluorophenoxathiine (CAS 63451-40-1) is a chemical compound with molecular formula C12H5ClF2OS and molecular weight 269.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2,8-difluorophenoxathiine
Also Known As: Tri-tert.butyliodsilan, 4-chloro-2,8-difluorophenoxathiine, 4-chloro-2,8-difluoro-phenoxathiine, Phenoxathiin, 4-chloro-2,8-difluoro-
| Molecular Formula | C12H5ClF2OS |
|---|---|
| Molecular Weight | 269.97 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 269.97177 |
| Heavy Atoms | 17 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 63451-40-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)SC3=C(O2)C(=CC(=C3)F)Cl |
| InChIKey | HLUHUTFNOSDCGF-UHFFFAOYSA-N |
Product Overview
4-Chloro-2,8-difluorophenoxathiine (CAS 63451-40-1), with molecular formula C12H5ClF2OS and molecular weight 269.97 g/mol. IUPAC: 4-chloro-2,8-difluorophenoxathiine.
Chemical Property Profile of 4-Chloro-2,8-difluorophenoxathiine
Property Insights of 4-Chloro-2,8-difluorophenoxathiine
The XLogP value of 4.4 indicates that 4-Chloro-2,8-difluorophenoxathiine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, 4-Chloro-2,8-difluorophenoxathiine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2,8-difluorophenoxathiine 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 4-Chloro-2,8-difluorophenoxathiine?
The CAS number of 4-Chloro-2,8-difluorophenoxathiine is 63451-40-1.
What is the molecular formula of 4-Chloro-2,8-difluorophenoxathiine?
The molecular formula of 4-Chloro-2,8-difluorophenoxathiine is C12H5ClF2OS.
What is the molecular weight of 4-Chloro-2,8-difluorophenoxathiine?
The molecular weight of 4-Chloro-2,8-difluorophenoxathiine is 269.97 g/mol.
Where can I buy 4-Chloro-2,8-difluorophenoxathiine?
You can request a quote for 4-Chloro-2,8-difluorophenoxathiine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2,8-difluorophenoxathiine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2,8-difluorophenoxathiine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.