3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene
TL;DR: 3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene (CAS 79971-22-5) is a chemical compound with molecular formula C11H18N4 and molecular weight 206.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
Also Known As: Pyclen, 1,4,7,10-Tetraaza-2,6-pyridinophane, starbld0018512, 3,6,9,15-Tetraazabicyclo[9.3.1]pentadeca-1(15),11,13-triene, ISO-BUTYL-NONANOATE
| Molecular Formula | C11H18N4 |
|---|---|
| Molecular Weight | 206.15 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.15315 |
| Heavy Atoms | 15 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 79971-22-5 |
|---|---|
| SMILES | C1CNCC2=NC(=CC=C2)CNCCN1 |
| InChIKey | LNMUPMQUMCDOKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene (CAS 79971-22-5), with molecular formula C11H18N4 and molecular weight 206.15 g/mol. IUPAC: 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene.
Chemical Property Profile of 3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene
Property Insights of 3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene
The XLogP value of -1.0 indicates that 3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.0 Ų, 3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene 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 3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene?
The CAS number of 3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene is 79971-22-5.
What is the molecular formula of 3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene?
The molecular formula of 3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene is C11H18N4.
What is the molecular weight of 3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene?
The molecular weight of 3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene is 206.15 g/mol.
Where can I buy 3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene?
You can request a quote for 3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene?
Yes, KEHONG BIO provides custom synthesis services for 3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.