Phenoxathiin, 2,8-dimethyl-, 10,10-dioxide
TL;DR: Phenoxathiin, 2,8-dimethyl-, 10,10-dioxide (CAS 21797-74-0) is a chemical compound with molecular formula C14H12O3S and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,8-dimethylphenoxathiine 10,10-dioxide
Also Known As: 2,8-dimethylphenoxathiine 10,10-dioxide, Phenoxathiin, 2,8-dimethyl-, 10,10-dioxide, 2,8-dimethyl-phenoxathiine-10,10-dioxide, 2,8-Dimethyl-10H-10lambda~6~-phenoxathiine-10,10-dione
| Molecular Formula | C14H12O3S |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.05072 |
| Heavy Atoms | 18 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 21797-74-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC3=C(S2(=O)=O)C=C(C=C3)C |
| InChIKey | LJUNPOOBVPLELA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenoxathiin, 2,8-dimethyl-, 10,10-dioxide (CAS 21797-74-0), with molecular formula C14H12O3S and molecular weight 260.05 g/mol. IUPAC: 2,8-dimethylphenoxathiine 10,10-dioxide.
Chemical Property Profile of Phenoxathiin, 2,8-dimethyl-, 10,10-dioxide
Property Insights of Phenoxathiin, 2,8-dimethyl-, 10,10-dioxide
The XLogP value of 3.1 indicates that Phenoxathiin, 2,8-dimethyl-, 10,10-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Phenoxathiin, 2,8-dimethyl-, 10,10-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenoxathiin, 2,8-dimethyl-, 10,10-dioxide 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 Phenoxathiin, 2,8-dimethyl-, 10,10-dioxide?
The CAS number of Phenoxathiin, 2,8-dimethyl-, 10,10-dioxide is 21797-74-0.
What is the molecular formula of Phenoxathiin, 2,8-dimethyl-, 10,10-dioxide?
The molecular formula of Phenoxathiin, 2,8-dimethyl-, 10,10-dioxide is C14H12O3S.
What is the molecular weight of Phenoxathiin, 2,8-dimethyl-, 10,10-dioxide?
The molecular weight of Phenoxathiin, 2,8-dimethyl-, 10,10-dioxide is 260.05 g/mol.
Where can I buy Phenoxathiin, 2,8-dimethyl-, 10,10-dioxide?
You can request a quote for Phenoxathiin, 2,8-dimethyl-, 10,10-dioxide 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-dimethyl-, 10,10-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Phenoxathiin, 2,8-dimethyl-, 10,10-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.