Hexetidine
TL;DR: Hexetidine (CAS 141-94-6) is a chemical compound with molecular formula C21H45N3 and molecular weight 339.36136 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine
Also Known As: hexetidine, Oraldene, Sterisil, Hexoral, Hextril
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H45N3 |
| Molecular Weight | 339.36136 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 32.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 339.36136 Da |
| Heavy Atoms | 24 |
| Complexity | 292.0 |
| Melting Point | Freezing point = 70 °C |
| Boiling Point | 160 °C at 0.4 mm Hg |
| Density | 0.8889 at 20 °C |
| Refractive Index | Index of refraction = 1.4668 at 20 °C/D |
| Solubility | Soluble in petroleum ether, methanol, benzene, acetone, ethanol, n-hexane, chloroform |
| SMILES | CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)N |
| InChIKey | DTOUUUZOYKYHEP-UHFFFAOYSA-N |
Product Description
Applications: Hexetidine is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Hexetidine (CAS 141-94-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Hexetidine (CAS 141-94-6) is a pharmaceutical intermediate with the molecular formula C21H45N3 and a molecular weight of 339.36 g/mol. Key physical properties include a density of 0.8889 at 20 °C g/cm³, a solubility: Soluble in petroleum ether, methanol, benzene, acetone, ethanol, n-hexane, chloroform. It is also known as hexetidine and Oraldene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Hexetidine
Property Insights of Hexetidine
The XLogP value of 5.7 indicates that Hexetidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.5 Ų, Hexetidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexetidine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Hexetidine?
The CAS number of Hexetidine is 141-94-6.
What is the molecular formula of Hexetidine?
The molecular formula of Hexetidine is C21H45N3.
What is the molecular weight of Hexetidine?
The molecular weight of Hexetidine is 339.36136 g/mol.
What are the applications of Hexetidine?
Hexetidine is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Hexetidine (CAS 141-94-6) with custom synthesis...
Where can I buy Hexetidine?
You can request a quote for Hexetidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexetidine?
Yes, CoreyChem provides custom synthesis services for Hexetidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.