Hexedine
TL;DR: Hexedine (CAS 5980-31-4) is a chemical compound with molecular formula C22H45N3 and molecular weight 351.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-bis(2-ethylhexyl)-7a-methyl-1,3,5,7-tetrahydroimidazo[1,5-c]imidazole
Also Known As: HEXEDINE, Sterisol, Hexedina, Hexedinum, Esedina
| Molecular Formula | C22H45N3 |
|---|---|
| Molecular Weight | 351.36 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 9.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 351.36136 |
| Heavy Atoms | 25 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 5980-31-4 |
|---|---|
| SMILES | CCCCC(CC)CN1CC2(CN(CN2C1)CC(CC)CCCC)C |
| InChIKey | MSJBLPVXRJMJSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexedine (CAS 5980-31-4), with molecular formula C22H45N3 and molecular weight 351.36 g/mol. IUPAC: 2,6-bis(2-ethylhexyl)-7a-methyl-1,3,5,7-tetrahydroimidazo[1,5-c]imidazole.
Chemical Property Profile of Hexedine
Property Insights of Hexedine
The XLogP value of 6.6 indicates that Hexedine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.7 Ų, Hexedine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexedine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexedine?
The CAS number of Hexedine is 5980-31-4.
What is the molecular formula of Hexedine?
The molecular formula of Hexedine is C22H45N3.
What is the molecular weight of Hexedine?
The molecular weight of Hexedine is 351.36 g/mol.
Where can I buy Hexedine?
You can request a quote for Hexedine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexedine?
Yes, KEHONG BIO provides custom synthesis services for Hexedine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.