Octaaminocryptand 1
TL;DR: Octaaminocryptand 1 (CAS 135469-17-9) is a chemical compound with molecular formula C36H54N8 and molecular weight 598.44714 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4,12,15,18,26,31,39-octazapentacyclo[13.13.13.16,10.120,24.133,37]tetratetraconta-6(44),7,9,20,22,24(43),33(42),34,36-nonaene
Also Known As: Octaaminocryptand 1, 1,4,12,15,18,26,31,39-Octaazapentacyclo[13.13.13.16,10.120,24.133,37]tetratetraconta-6,8,10(44),20,22,24(43),33,35,37(42)-nonaene, 1,4,12,15,18,26,31,39-Octazapentacyclo[13.13.13.16,10.120,24.133,37]tetratetraconta-6(44),7,9,20,22,24(43),33(42),34,36-nonaene, 1,1 ,1 -[Nitrilotris(ethyleneiminomethylene)]-3,3 ,3 -[nitrilotris(ethyleneiminomethylene)]trisbenzene, 1,1 ,3,3 -[[1,3-Phenylenebis(methyleneiminoethylenenitrilo)]tetrakis(ethyleneiminomethylene)]bisbenzene
Technical Specifications
| Molecular Formula | C36H54N8 |
| Molecular Weight | 598.44714 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 78.7 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 598.44714 Da |
| Heavy Atoms | 44 |
| Complexity | 590.0 |
| SMILES | C1CN2CCNCC3=CC(=CC=C3)CNCCN(CCNCC4=CC=CC(=C4)CN1)CCNCC5=CC=CC(=C5)CNCC2 |
| InChIKey | FQRVANUKVUBLEF-UHFFFAOYSA-N |
Chemical Property Profile of Octaaminocryptand 1
Property Insights of Octaaminocryptand 1
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octaaminocryptand 1. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Octaaminocryptand 1. Following Lipinski's Rule of Five, Octaaminocryptand 1 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Octaaminocryptand 1?
The CAS number of Octaaminocryptand 1 is 135469-17-9.
What is the molecular formula of Octaaminocryptand 1?
The molecular formula of Octaaminocryptand 1 is C36H54N8.
What is the molecular weight of Octaaminocryptand 1?
The molecular weight of Octaaminocryptand 1 is 598.44714 g/mol.
Where can I buy Octaaminocryptand 1?
You can request a quote for Octaaminocryptand 1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octaaminocryptand 1?
Yes, CoreyChem provides custom synthesis services for Octaaminocryptand 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.