海克替啶
TL;DR: 海克替啶 (CAS 141-94-6) is a chemical compound with molecular formula C21H45N3 and molecular weight 339.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
海克替啶
1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine
Also Known As: hexetidine, Oraldene, Sterisil, Hexoral, Hextril
| Molecular Formula | C21H45N3 |
|---|---|
| Molecular Weight | 339.36 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 32.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 339.36136 |
| 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 |
| Solubility | Soluble in petroleum ether, methanol, benzene, acetone, ethanol, n-hexane, chloroform |
| Refractive Index | = 1.4668 at 20 °C |
Chemical Identifiers
| CAS Number | 141-94-6 |
|---|---|
| SMILES | CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)N |
| InChIKey | DTOUUUZOYKYHEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
海克替啶 (CAS 141-94-6), with molecular formula C21H45N3 and molecular weight 339.36 g/mol. IUPAC: 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine.
Chemical Property Profile of 海克替啶
Property Insights of 海克替啶
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, 海克替啶 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
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 339.36 g/mol.
Where can I buy Hexetidine?
You can request a quote for Hexetidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexetidine?
Yes, KEHONG BIO provides custom synthesis services for Hexetidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.