1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)-
TL;DR: 1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)- (CAS 135865-60-0) is a chemical compound with molecular formula C14H12O5S and molecular weight 292.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(10,10-dioxophenoxathiin-1-yl)ethane-1,2-diol
Also Known As: 1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)-, 1-(10,10-dioxophenoxathiin-1-yl)ethane-1,2-diol, 1-(1,2-Dihydroxyethyl)-10H-10lambda~6~-phenoxathiine-10,10-dione, 1-(10,10-Dioxo-10H-10lambda*6*-phenoxathiin-1-yl)-ethane-1,2-diol
| Molecular Formula | C14H12O5S |
|---|---|
| Molecular Weight | 292.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.04056 |
| Heavy Atoms | 20 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 135865-60-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)OC3=CC=CC(=C3S2(=O)=O)C(CO)O |
| InChIKey | PKTQHXZCHYIMFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)- (CAS 135865-60-0), with molecular formula C14H12O5S and molecular weight 292.04 g/mol. IUPAC: 1-(10,10-dioxophenoxathiin-1-yl)ethane-1,2-diol.
Chemical Property Profile of 1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)-
Property Insights of 1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)-. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)-. Following Lipinski's Rule of Five, 1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)- 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 1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)-?
The CAS number of 1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)- is 135865-60-0.
What is the molecular formula of 1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)-?
The molecular formula of 1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)- is C14H12O5S.
What is the molecular weight of 1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)-?
The molecular weight of 1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)- is 292.04 g/mol.
Where can I buy 1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)-?
You can request a quote for 1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.