1-Oxa-4,7,10-triazacyclododecane-4,7,10-triethanol
TL;DR: 1-Oxa-4,7,10-triazacyclododecane-4,7,10-triethanol (CAS 85325-51-5) is a chemical compound with molecular formula C14H31N3O4 and molecular weight 305.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4,10-bis(2-hydroxyethyl)-1-oxa-4,7,10-triazacyclododec-7-yl]ethanol
Also Known As: BAS 00918724, 1-Oxa-4,7,10-triazacyclododecane-4,7,10-triethanol, 2-[4,10-Bis-(2-hydroxy-ethyl)-1-oxa-4,7,10-triaza-cyclododec-7-yl]-ethanol, 2,2',2''-(1-oxa-4,7,10-triazacyclododecane-4,7,10-triyl)triethanol, 2-[4,10-bis(2-hydroxyethyl)-1-oxa-4,7,10-triazacyclododec-7-yl]ethanol
| Molecular Formula | C14H31N3O4 |
|---|---|
| Molecular Weight | 305.23 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 79.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.23145 |
| Heavy Atoms | 21 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 85325-51-5 |
|---|---|
| SMILES | C1CN(CCOCCN(CCN1CCO)CCO)CCO |
| InChIKey | TUENNYSZDXTGLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Oxa-4,7,10-triazacyclododecane-4,7,10-triethanol (CAS 85325-51-5), with molecular formula C14H31N3O4 and molecular weight 305.23 g/mol. IUPAC: 2-[4,10-bis(2-hydroxyethyl)-1-oxa-4,7,10-triazacyclododec-7-yl]ethanol.
Chemical Property Profile of 1-Oxa-4,7,10-triazacyclododecane-4,7,10-triethanol
Property Insights of 1-Oxa-4,7,10-triazacyclododecane-4,7,10-triethanol
The XLogP value of -2.1 indicates that 1-Oxa-4,7,10-triazacyclododecane-4,7,10-triethanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Oxa-4,7,10-triazacyclododecane-4,7,10-triethanol. Following Lipinski's Rule of Five, 1-Oxa-4,7,10-triazacyclododecane-4,7,10-triethanol has 3 hydrogen bond donor(s) and 7 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-4,7,10-triethanol?
The CAS number of 1-Oxa-4,7,10-triazacyclododecane-4,7,10-triethanol is 85325-51-5.
What is the molecular formula of 1-Oxa-4,7,10-triazacyclododecane-4,7,10-triethanol?
The molecular formula of 1-Oxa-4,7,10-triazacyclododecane-4,7,10-triethanol is C14H31N3O4.
What is the molecular weight of 1-Oxa-4,7,10-triazacyclododecane-4,7,10-triethanol?
The molecular weight of 1-Oxa-4,7,10-triazacyclododecane-4,7,10-triethanol is 305.23 g/mol.
Where can I buy 1-Oxa-4,7,10-triazacyclododecane-4,7,10-triethanol?
You can request a quote for 1-Oxa-4,7,10-triazacyclododecane-4,7,10-triethanol 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-4,7,10-triethanol?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxa-4,7,10-triazacyclododecane-4,7,10-triethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.