3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione
TL;DR: 3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione (CAS 406-82-6) is a chemical compound with molecular formula C16H22N2O2 and molecular weight 274.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
Also Known As: Sodium bis(4-nitrophenyl) phosphate, 3,12-Diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione, 3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione, 3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-di, RefChem:90568
| Molecular Formula | C16H22N2O2 |
|---|---|
| Molecular Weight | 274.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 274.16812 |
| Heavy Atoms | 20 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 406-82-6 |
|---|---|
| SMILES | C1CCCCNC(=O)C2=CC=CC(=C2)C(=O)NCCC1 |
| InChIKey | VTSDMIFKZLXFQW-UHFFFAOYSA-N |
Product Overview
3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione (CAS 406-82-6), with molecular formula C16H22N2O2 and molecular weight 274.17 g/mol. IUPAC: 3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione.
Chemical Property Profile of 3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione
Property Insights of 3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione. With a topological polar surface area (TPSA) of 58.2 Ų, 3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione has 2 hydrogen bond donor(s) and 2 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 3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione?
The CAS number of 3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione is 406-82-6.
What is the molecular formula of 3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione?
The molecular formula of 3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione is C16H22N2O2.
What is the molecular weight of 3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione?
The molecular weight of 3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione is 274.17 g/mol.
Where can I buy 3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione?
You can request a quote for 3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,12-Diazabicyclo(12.3.1)octadeca-1(18),14,16-triene-2,13-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.