1,3-Dimethyladamantane
TL;DR: 1,3-Dimethyladamantane (CAS 702-79-4) is a chemical compound with molecular formula C12H20 and molecular weight 164.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyladamantane
Also Known As: 1,3-DIMETHYLADAMANTANE, 1-3-Dimethyladamantane, dimethyladamantane, Adamantane, 1,3-dimethyl-, 1,3-dimethyl adamantane
| Molecular Formula | C12H20 |
|---|---|
| Molecular Weight | 164.16 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.1565 |
| Heavy Atoms | 12 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 702-79-4 |
|---|---|
| SMILES | CC12CC3CC(C1)CC(C3)(C2)C |
| InChIKey | CWNOIUTVJRWADX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethyladamantane (CAS 702-79-4), with molecular formula C12H20 and molecular weight 164.16 g/mol. IUPAC: 1,3-dimethyladamantane.
Chemical Property Profile of 1,3-Dimethyladamantane
Property Insights of 1,3-Dimethyladamantane
The XLogP value of 4.6 indicates that 1,3-Dimethyladamantane 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-Dimethyladamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyladamantane 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-Dimethyladamantane?
The CAS number of 1,3-Dimethyladamantane is 702-79-4.
What is the molecular formula of 1,3-Dimethyladamantane?
The molecular formula of 1,3-Dimethyladamantane is C12H20.
What is the molecular weight of 1,3-Dimethyladamantane?
The molecular weight of 1,3-Dimethyladamantane is 164.16 g/mol.
Where can I buy 1,3-Dimethyladamantane?
You can request a quote for 1,3-Dimethyladamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyladamantane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyladamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.