1,3,5-Trimethyladamantane
TL;DR: 1,3,5-Trimethyladamantane (CAS 707-35-7) is a chemical compound with molecular formula C13H22 and molecular weight 178.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trimethyladamantane
Also Known As: 1,3,5-Trimethyladamantane, 1,3,5-Trimethyl Adamantane, 3-Methoxy-4-methylbenzonitrile, Adamantane, 1,3,5-trimethyl-, (1r,3s)-1,3,5-trimethyladamantane
| Molecular Formula | C13H22 |
|---|---|
| Molecular Weight | 178.17 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.17215 |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 707-35-7 |
|---|---|
| SMILES | CC12CC3CC(C1)(CC(C3)(C2)C)C |
| InChIKey | WCACLGXPFTYVEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Trimethyladamantane (CAS 707-35-7), with molecular formula C13H22 and molecular weight 178.17 g/mol. IUPAC: 1,3,5-trimethyladamantane.
Chemical Property Profile of 1,3,5-Trimethyladamantane
Property Insights of 1,3,5-Trimethyladamantane
The XLogP value of 5.0 indicates that 1,3,5-Trimethyladamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3,5-Trimethyladamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Trimethyladamantane has 0 hydrogen bond donor(s) and 0 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-Trimethyladamantane?
The CAS number of 1,3,5-Trimethyladamantane is 707-35-7.
What is the molecular formula of 1,3,5-Trimethyladamantane?
The molecular formula of 1,3,5-Trimethyladamantane is C13H22.
What is the molecular weight of 1,3,5-Trimethyladamantane?
The molecular weight of 1,3,5-Trimethyladamantane is 178.17 g/mol.
Where can I buy 1,3,5-Trimethyladamantane?
You can request a quote for 1,3,5-Trimethyladamantane 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-Trimethyladamantane?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Trimethyladamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.