1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione
TL;DR: 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione (CAS 79687-38-0) is a chemical compound with molecular formula C12H18O8S and molecular weight 322.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,7,10,13-pentaoxa-16-thiacyclooctadecane-3,14,17-trione
Also Known As: 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione, RefChem:219884
| Molecular Formula | C12H18O8S |
|---|---|
| Molecular Weight | 322.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 322.07224 |
| Heavy Atoms | 21 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 79687-38-0 |
|---|---|
| SMILES | C1COCCOC(=O)CSC(=O)COCC(=O)OCCO1 |
| InChIKey | NQVYWSHBYVOBJU-UHFFFAOYSA-N |
Product Overview
1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione (CAS 79687-38-0), with molecular formula C12H18O8S and molecular weight 322.07 g/mol. IUPAC: 1,4,7,10,13-pentaoxa-16-thiacyclooctadecane-3,14,17-trione.
Chemical Property Profile of 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione
Property Insights of 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione
The XLogP value of -0.1 indicates that 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione. Following Lipinski's Rule of Five, 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione has 0 hydrogen bond donor(s) and 9 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 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione?
The CAS number of 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione is 79687-38-0.
What is the molecular formula of 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione?
The molecular formula of 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione is C12H18O8S.
What is the molecular weight of 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione?
The molecular weight of 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione is 322.07 g/mol.
Where can I buy 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione?
You can request a quote for 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.