1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride
TL;DR: 1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride (CAS 396117-46-7) is a chemical compound with molecular formula C26H57Cl3N4O and molecular weight 546.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one;trihydrochloride
Also Known As: CGC 11174, 1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride, 8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one Trihydrochloride, 8-Tridecyl-1,5,9,13-tetraazacycloheptadec-5-en-6-ol--hydrogen chloride (1/3)
| Molecular Formula | C26H57Cl3N4O |
|---|---|
| Molecular Weight | 546.36 g/mol |
| LogP | 6.1706 |
| Topological Polar Surface Area | 65.19 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 546.3598 |
| Heavy Atoms | 34 |
| Complexity | 406.242 |
Chemical Identifiers
| CAS Number | 396117-46-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCC1CC(=O)NCCCNCCCCNCCCN1.Cl.Cl.Cl |
Product Overview
1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride (CAS 396117-46-7), with molecular formula C26H57Cl3N4O and molecular weight 546.36 g/mol. IUPAC: 8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one;trihydrochloride.
Chemical Property Profile of 1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride
Property Insights of 1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride
The XLogP value of 6.1706 indicates that 1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride. Following Lipinski's Rule of Five, 1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride?
The CAS number of 1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride is 396117-46-7.
What is the molecular formula of 1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride?
The molecular formula of 1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride is C26H57Cl3N4O.
What is the molecular weight of 1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride?
The molecular weight of 1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride is 546.36 g/mol.
Where can I buy 1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride?
You can request a quote for 1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,5,9,13-Tetraazacycloheptadecan-6-one, 8-tridecyl-, trihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.