1,9-Dicarboxyphenoxathiin-10,10-dioxide
TL;DR: 1,9-Dicarboxyphenoxathiin-10,10-dioxide (CAS 106319-99-7) is a chemical compound with molecular formula C14H8O7S and molecular weight 320.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,10-dioxophenoxathiine-1,9-dicarboxylic acid
Also Known As: 1,9-DICARBOXYPHENOXATHIIN-10,10-DIOXIDE, 10,10-dioxophenoxathiine-1,9-dicarboxylic Acid, 660-449-9, RefChem:417940
| Molecular Formula | C14H8O7S |
|---|---|
| Molecular Weight | 320.00 g/mol |
| LogP | 2.0215 |
| Topological Polar Surface Area | 117.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.99908 |
| Heavy Atoms | 22 |
| Complexity | 858.7027 |
Chemical Identifiers
| CAS Number | 106319-99-7 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)OC3=CC=CC(=C3S2(=O)=O)C(=O)O)C(=O)O |
Product Overview
1,9-Dicarboxyphenoxathiin-10,10-dioxide (CAS 106319-99-7), with molecular formula C14H8O7S and molecular weight 320.00 g/mol. IUPAC: 10,10-dioxophenoxathiine-1,9-dicarboxylic acid.
Chemical Property Profile of 1,9-Dicarboxyphenoxathiin-10,10-dioxide
Property Insights of 1,9-Dicarboxyphenoxathiin-10,10-dioxide
The XLogP value of 2.0215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,9-Dicarboxyphenoxathiin-10,10-dioxide. The TPSA of 117.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,9-Dicarboxyphenoxathiin-10,10-dioxide. Following Lipinski's Rule of Five, 1,9-Dicarboxyphenoxathiin-10,10-dioxide has 2 hydrogen bond donor(s) and 5 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 1,9-Dicarboxyphenoxathiin-10,10-dioxide?
The CAS number of 1,9-Dicarboxyphenoxathiin-10,10-dioxide is 106319-99-7.
What is the molecular formula of 1,9-Dicarboxyphenoxathiin-10,10-dioxide?
The molecular formula of 1,9-Dicarboxyphenoxathiin-10,10-dioxide is C14H8O7S.
What is the molecular weight of 1,9-Dicarboxyphenoxathiin-10,10-dioxide?
The molecular weight of 1,9-Dicarboxyphenoxathiin-10,10-dioxide is 320.00 g/mol.
Where can I buy 1,9-Dicarboxyphenoxathiin-10,10-dioxide?
You can request a quote for 1,9-Dicarboxyphenoxathiin-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 1,9-Dicarboxyphenoxathiin-10,10-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1,9-Dicarboxyphenoxathiin-10,10-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.