1,3-Adamantanedimethanol
TL;DR: 1,3-Adamantanedimethanol (CAS 1189876-34-3) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(hydroxymethyl)-1-adamantyl]methanol
Also Known As: 1,3-ADAMANTANEDIMETHANOL, Adamantane-1,3-diyldimethanol, Trillin, 1,3-Adamantanediol, [3-(hydroxymethyl)-1-adamantyl]methanol
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.14633 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.14633 Da |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
| SMILES | C1C2CC3(CC1CC(C2)(C3)CO)CO |
| InChIKey | RABVYVVNRHVXPJ-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Adamantanedimethanol
Property Insights of 1,3-Adamantanedimethanol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Adamantanedimethanol. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Adamantanedimethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Adamantanedimethanol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Adamantanedimethanol?
The CAS number of 1,3-Adamantanedimethanol is 1189876-34-3.
What is the molecular formula of 1,3-Adamantanedimethanol?
The molecular formula of 1,3-Adamantanedimethanol is C12H20O2.
What is the molecular weight of 1,3-Adamantanedimethanol?
The molecular weight of 1,3-Adamantanedimethanol is 196.14633 g/mol.
Where can I buy 1,3-Adamantanedimethanol?
You can request a quote for 1,3-Adamantanedimethanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Adamantanedimethanol?
Yes, CoreyChem provides custom synthesis services for 1,3-Adamantanedimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.