1,4,7-Trioxacyclotridecane-8,13-dione
TL;DR: 1,4,7-Trioxacyclotridecane-8,13-dione (CAS 6607-34-7) is a chemical compound with molecular formula C10H16O5 and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,7-trioxacyclotridecane-8,13-dione
Also Known As: 1,4,7-trioxacyclotridecane-8,13-dione, Adipic acid oxybisethylene ester, CYCLIC DIETHYLENE GLYCOL ADIPATE, Hexanedioic acid (oxybisethylene) ester, 1,4,7-Trioxacyclotrideca-8,13-dione
| Molecular Formula | C10H16O5 |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.09978 |
| Heavy Atoms | 15 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 6607-34-7 |
|---|---|
| SMILES | C1CCC(=O)OCCOCCOC(=O)C1 |
| InChIKey | PMDHMYFSRFZGIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4,7-Trioxacyclotridecane-8,13-dione (CAS 6607-34-7), with molecular formula C10H16O5 and molecular weight 216.10 g/mol. IUPAC: 1,4,7-trioxacyclotridecane-8,13-dione.
Chemical Property Profile of 1,4,7-Trioxacyclotridecane-8,13-dione
Property Insights of 1,4,7-Trioxacyclotridecane-8,13-dione
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,7-Trioxacyclotridecane-8,13-dione. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,7-Trioxacyclotridecane-8,13-dione. Following Lipinski's Rule of Five, 1,4,7-Trioxacyclotridecane-8,13-dione has 0 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 1,4,7-Trioxacyclotridecane-8,13-dione?
The CAS number of 1,4,7-Trioxacyclotridecane-8,13-dione is 6607-34-7.
What is the molecular formula of 1,4,7-Trioxacyclotridecane-8,13-dione?
The molecular formula of 1,4,7-Trioxacyclotridecane-8,13-dione is C10H16O5.
What is the molecular weight of 1,4,7-Trioxacyclotridecane-8,13-dione?
The molecular weight of 1,4,7-Trioxacyclotridecane-8,13-dione is 216.10 g/mol.
Where can I buy 1,4,7-Trioxacyclotridecane-8,13-dione?
You can request a quote for 1,4,7-Trioxacyclotridecane-8,13-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-Trioxacyclotridecane-8,13-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7-Trioxacyclotridecane-8,13-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.