2,8-Phenoxathiindisulfonic acid
TL;DR: 2,8-Phenoxathiindisulfonic acid (CAS 6273-98-9) is a chemical compound with molecular formula C12H8O7S3 and molecular weight 359.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenoxathiine-2,8-disulfonic acid
Also Known As: 2,8-Phenoxathiindisulfonic acid, phenoxathiine-2,8-disulfonic acid
| Molecular Formula | C12H8O7S3 |
|---|---|
| Molecular Weight | 359.94 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.9432 |
| Heavy Atoms | 22 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 6273-98-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1S(=O)(=O)O)SC3=C(O2)C=CC(=C3)S(=O)(=O)O |
| InChIKey | DBWKNWLAUXFTHJ-UHFFFAOYSA-N |
Product Overview
2,8-Phenoxathiindisulfonic acid (CAS 6273-98-9), with molecular formula C12H8O7S3 and molecular weight 359.94 g/mol. IUPAC: phenoxathiine-2,8-disulfonic acid.
Chemical Property Profile of 2,8-Phenoxathiindisulfonic acid
Property Insights of 2,8-Phenoxathiindisulfonic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,8-Phenoxathiindisulfonic acid. The TPSA of 160.0 Ų indicates high polarity, suggesting 2,8-Phenoxathiindisulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,8-Phenoxathiindisulfonic acid has 2 hydrogen bond donor(s) and 8 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 2,8-Phenoxathiindisulfonic acid?
The CAS number of 2,8-Phenoxathiindisulfonic acid is 6273-98-9.
What is the molecular formula of 2,8-Phenoxathiindisulfonic acid?
The molecular formula of 2,8-Phenoxathiindisulfonic acid is C12H8O7S3.
What is the molecular weight of 2,8-Phenoxathiindisulfonic acid?
The molecular weight of 2,8-Phenoxathiindisulfonic acid is 359.94 g/mol.
Where can I buy 2,8-Phenoxathiindisulfonic acid?
You can request a quote for 2,8-Phenoxathiindisulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,8-Phenoxathiindisulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,8-Phenoxathiindisulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.