![6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione structure](/static/products/5494/54945-27-6.webp)
6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione
TL;DR: 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione (CAS 54945-27-6) is a chemical compound with molecular formula C13H17N3O4 and molecular weight 279.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
Also Known As: 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione, N,N -[Ethylenebis(oxyethylene)]-2,6-pyridinedicarboxamide, 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18)14,16-triene-2,13-dione, 3,12,18-Triaza-6,9-dioxabicyclo[12.3.1]octadecane-1(17),14(18),15-triene-2,13-dione, 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1 14,16-triene-2,13-dione
| Molecular Formula | C13H17N3O4 |
|---|---|
| Molecular Weight | 279.12 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 279.12192 |
| Heavy Atoms | 20 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 54945-27-6 |
|---|---|
| SMILES | C1COCCOCCNC(=O)C2=CC=CC(=N2)C(=O)N1 |
| InChIKey | AHXQSQFHXUVYPY-UHFFFAOYSA-N |
Product Overview
6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione (CAS 54945-27-6), with molecular formula C13H17N3O4 and molecular weight 279.12 g/mol. IUPAC: 6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione.
Chemical Property Profile of 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione
Property Insights of 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione
The XLogP value of -0.4 indicates that 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione. Following Lipinski's Rule of Five, 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione has 2 hydrogen bond donor(s) and 5 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 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione?
The CAS number of 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione is 54945-27-6.
What is the molecular formula of 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione?
The molecular formula of 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione is C13H17N3O4.
What is the molecular weight of 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione?
The molecular weight of 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione is 279.12 g/mol.
Where can I buy 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione?
You can request a quote for 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione?
Yes, KEHONG BIO provides custom synthesis services for 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.