1-Oxa-4,7,10-triazacyclododecane
TL;DR: 1-Oxa-4,7,10-triazacyclododecane (CAS 53835-21-5) is a chemical compound with molecular formula C8H19N3O and molecular weight 173.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxa-4,7,10-triazacyclododecane
Also Known As: 1-oxa-4,7,10-triazacyclododecane, Oxacyclen, triaza-12-crown-4, TRIAZA-12-CROWN-4 99%, 1-Oxa-4,7,10-triaza-cyclododecane
| Molecular Formula | C8H19N3O |
|---|---|
| Molecular Weight | 173.15 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.15282 |
| Heavy Atoms | 12 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 53835-21-5 |
|---|---|
| SMILES | C1CNCCOCCNCCN1 |
| InChIKey | NLINGGCQUVARNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Oxa-4,7,10-triazacyclododecane (CAS 53835-21-5), with molecular formula C8H19N3O and molecular weight 173.15 g/mol. IUPAC: 1-oxa-4,7,10-triazacyclododecane.
Chemical Property Profile of 1-Oxa-4,7,10-triazacyclododecane
Property Insights of 1-Oxa-4,7,10-triazacyclododecane
The XLogP value of -1.7 indicates that 1-Oxa-4,7,10-triazacyclododecane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 45.3 Ų, 1-Oxa-4,7,10-triazacyclododecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxa-4,7,10-triazacyclododecane has 3 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-Oxa-4,7,10-triazacyclododecane?
The CAS number of 1-Oxa-4,7,10-triazacyclododecane is 53835-21-5.
What is the molecular formula of 1-Oxa-4,7,10-triazacyclododecane?
The molecular formula of 1-Oxa-4,7,10-triazacyclododecane is C8H19N3O.
What is the molecular weight of 1-Oxa-4,7,10-triazacyclododecane?
The molecular weight of 1-Oxa-4,7,10-triazacyclododecane is 173.15 g/mol.
Where can I buy 1-Oxa-4,7,10-triazacyclododecane?
You can request a quote for 1-Oxa-4,7,10-triazacyclododecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxa-4,7,10-triazacyclododecane?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxa-4,7,10-triazacyclododecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.