Ecane
TL;DR: Ecane (CAS 148407-91-4) is a chemical compound with molecular formula C20H44N4O4 and molecular weight 404.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4,7,10-tris(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
Also Known As: ECANE, Gadoteridol Impurity 5, Thp-12-ane N4, Gadobutrol Impurity 12, 1-[4,7,10-tris(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
| Molecular Formula | C20H44N4O4 |
|---|---|
| Molecular Weight | 404.34 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 93.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.33624 |
| Heavy Atoms | 28 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 148407-91-4 |
|---|---|
| SMILES | CC(CN1CCN(CCN(CCN(CC1)CC(C)O)CC(C)O)CC(C)O)O |
| InChIKey | JHOCPWZBWNMPDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ecane (CAS 148407-91-4), with molecular formula C20H44N4O4 and molecular weight 404.34 g/mol. IUPAC: 1-[4,7,10-tris(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol.
Chemical Property Profile of Ecane
Property Insights of Ecane
The XLogP value of -0.9 indicates that Ecane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ecane. Following Lipinski's Rule of Five, Ecane has 4 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 Ecane?
The CAS number of Ecane is 148407-91-4.
What is the molecular formula of Ecane?
The molecular formula of Ecane is C20H44N4O4.
What is the molecular weight of Ecane?
The molecular weight of Ecane is 404.34 g/mol.
Where can I buy Ecane?
You can request a quote for Ecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ecane?
Yes, KEHONG BIO provides custom synthesis services for Ecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.