1,3,5,7-Tetrazocine, octahydro-
TL;DR: 1,3,5,7-Tetrazocine, octahydro- (CAS 6054-74-6) is a chemical compound with molecular formula C4H12N4 and molecular weight 116.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5,7-tetrazocane
Also Known As: 1,3,5,7-tetrazocane, Octahydro-1,3,5,7-tetrazocine, 1,3,5,7-Tetrazocine, octahydro-, 1,3,5,7-tetraazacyclooctane, 1,3,5,7-Octahydro-1,3,5,7-tetrazocine
| Molecular Formula | C4H12N4 |
|---|---|
| Molecular Weight | 116.11 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.10619 |
| Heavy Atoms | 8 |
| Complexity | 32.0 |
Chemical Identifiers
| CAS Number | 6054-74-6 |
|---|---|
| SMILES | C1NCNCNCN1 |
| InChIKey | ZNXALBRTUNJVIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5,7-Tetrazocine, octahydro- (CAS 6054-74-6), with molecular formula C4H12N4 and molecular weight 116.11 g/mol. IUPAC: 1,3,5,7-tetrazocane.
Chemical Property Profile of 1,3,5,7-Tetrazocine, octahydro-
Property Insights of 1,3,5,7-Tetrazocine, octahydro-
The XLogP value of -1.3 indicates that 1,3,5,7-Tetrazocine, octahydro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 48.1 Ų, 1,3,5,7-Tetrazocine, octahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5,7-Tetrazocine, octahydro- has 4 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 1,3,5,7-Tetrazocine, octahydro-?
The CAS number of 1,3,5,7-Tetrazocine, octahydro- is 6054-74-6.
What is the molecular formula of 1,3,5,7-Tetrazocine, octahydro-?
The molecular formula of 1,3,5,7-Tetrazocine, octahydro- is C4H12N4.
What is the molecular weight of 1,3,5,7-Tetrazocine, octahydro-?
The molecular weight of 1,3,5,7-Tetrazocine, octahydro- is 116.11 g/mol.
Where can I buy 1,3,5,7-Tetrazocine, octahydro-?
You can request a quote for 1,3,5,7-Tetrazocine, octahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5,7-Tetrazocine, octahydro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5,7-Tetrazocine, octahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.