1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-14,18-dione
TL;DR: 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-14,18-dione (CAS 63689-64-5) is a chemical compound with molecular formula C12H20O7S and molecular weight 308.09 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-14,18-dione
Also Known As: 2-tert-Butyl-6-methyl-3-pyridinol, 2,6-DIKETO-4-THIA-18-CROWN-6, 1,4,7,10,13-pentaoxa-16-thiacyclooctadecane-14,18-dione, 1,7,10,13,16-pentaoxa-4-thiacyclooctadecane-2,6-dione
| Molecular Formula | C12H20O7S |
|---|---|
| Molecular Weight | 308.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 308.093 |
| Heavy Atoms | 20 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 63689-64-5 |
|---|---|
| SMILES | C1COCCOC(=O)CSCC(=O)OCCOCCO1 |
| InChIKey | ROUUIRZIVQNXCR-UHFFFAOYSA-N |
Product Overview
1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-14,18-dione (CAS 63689-64-5), with molecular formula C12H20O7S and molecular weight 308.09 g/mol. IUPAC: 1,4,7,10,13-pentaoxa-16-thiacyclooctadecane-14,18-dione.
Chemical Property Profile of 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-14,18-dione
Property Insights of 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-14,18-dione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-14,18-dione. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-14,18-dione. Following Lipinski's Rule of Five, 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-14,18-dione has 0 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 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-14,18-dione?
The CAS number of 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-14,18-dione is 63689-64-5.
What is the molecular formula of 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-14,18-dione?
The molecular formula of 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-14,18-dione is C12H20O7S.
What is the molecular weight of 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-14,18-dione?
The molecular weight of 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-14,18-dione is 308.09 g/mol.
Where can I buy 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-14,18-dione?
You can request a quote for 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-14,18-dione 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-14,18-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-14,18-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.