1,4,7-Trioxa-10-azacyclododecane
TL;DR: 1,4,7-Trioxa-10-azacyclododecane (CAS 41775-76-2) is a chemical compound with molecular formula C8H17NO3 and molecular weight 175.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,7-trioxa-10-azacyclododecane
Also Known As: 1,4,7-Trioxa-10-azacyclododecane, 1-Aza-12-crown 4-Ether, 1-Aza-12-crown-4, aza-12-crown-4, 1-Aza-12-crown4-Ether
| Molecular Formula | C8H17NO3 |
|---|---|
| Molecular Weight | 175.12 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.12085 |
| Heavy Atoms | 12 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 41775-76-2 |
|---|---|
| SMILES | C1COCCOCCOCCN1 |
| InChIKey | QNSRHBOZQLXYNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4,7-Trioxa-10-azacyclododecane (CAS 41775-76-2), with molecular formula C8H17NO3 and molecular weight 175.12 g/mol. IUPAC: 1,4,7-trioxa-10-azacyclododecane.
Chemical Property Profile of 1,4,7-Trioxa-10-azacyclododecane
Property Insights of 1,4,7-Trioxa-10-azacyclododecane
The XLogP value of -1.2 indicates that 1,4,7-Trioxa-10-azacyclododecane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 39.7 Ų, 1,4,7-Trioxa-10-azacyclododecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,7-Trioxa-10-azacyclododecane has 1 hydrogen bond donor(s) and 4 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-Trioxa-10-azacyclododecane?
The CAS number of 1,4,7-Trioxa-10-azacyclododecane is 41775-76-2.
What is the molecular formula of 1,4,7-Trioxa-10-azacyclododecane?
The molecular formula of 1,4,7-Trioxa-10-azacyclododecane is C8H17NO3.
What is the molecular weight of 1,4,7-Trioxa-10-azacyclododecane?
The molecular weight of 1,4,7-Trioxa-10-azacyclododecane is 175.12 g/mol.
Where can I buy 1,4,7-Trioxa-10-azacyclododecane?
You can request a quote for 1,4,7-Trioxa-10-azacyclododecane 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-Trioxa-10-azacyclododecane?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7-Trioxa-10-azacyclododecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.