1,3-Dimethyl-5-n-hexyladamantane
TL;DR: 1,3-Dimethyl-5-n-hexyladamantane (CAS 52873-50-4) is a chemical compound with molecular formula C18H32 and molecular weight 248.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexyl-3,5-dimethyladamantane
Also Known As: 1-Hexyl-3,5-dimethyladamantane, 1,3-Dimethyl-5-n-hexyladamantane, 1-Hexyl-3,5-dimethyladamantane #, 1-Hexyl-3,5-dimethyltricyclo[3.3.1.13,7]decane
| Molecular Formula | C18H32 |
|---|---|
| Molecular Weight | 248.25 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.2504 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 52873-50-4 |
|---|---|
| SMILES | CCCCCCC12CC3CC(C1)(CC(C3)(C2)C)C |
| InChIKey | PLDRZUCFGWSNEO-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl-5-n-hexyladamantane (CAS 52873-50-4), with molecular formula C18H32 and molecular weight 248.25 g/mol. IUPAC: 1-hexyl-3,5-dimethyladamantane.
Chemical Property Profile of 1,3-Dimethyl-5-n-hexyladamantane
Property Insights of 1,3-Dimethyl-5-n-hexyladamantane
The XLogP value of 7.7 indicates that 1,3-Dimethyl-5-n-hexyladamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dimethyl-5-n-hexyladamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-5-n-hexyladamantane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Dimethyl-5-n-hexyladamantane?
The CAS number of 1,3-Dimethyl-5-n-hexyladamantane is 52873-50-4.
What is the molecular formula of 1,3-Dimethyl-5-n-hexyladamantane?
The molecular formula of 1,3-Dimethyl-5-n-hexyladamantane is C18H32.
What is the molecular weight of 1,3-Dimethyl-5-n-hexyladamantane?
The molecular weight of 1,3-Dimethyl-5-n-hexyladamantane is 248.25 g/mol.
Where can I buy 1,3-Dimethyl-5-n-hexyladamantane?
You can request a quote for 1,3-Dimethyl-5-n-hexyladamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-5-n-hexyladamantane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-5-n-hexyladamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.