5-Methyl-1,3-adamantanediol
TL;DR: 5-Methyl-1,3-adamantanediol (CAS 17837-93-3) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyladamantane-1,3-diol
Also Known As: 5-methyl-1,3-adamantanediol, 5-methyladamantane-1,3-diol, RefChem:303896
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 17837-93-3 |
|---|---|
| SMILES | CC12CC3CC(C1)(CC(C3)(C2)O)O |
| InChIKey | OJZXOFBHKPTMPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-1,3-adamantanediol (CAS 17837-93-3), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: 5-methyladamantane-1,3-diol.
Chemical Property Profile of 5-Methyl-1,3-adamantanediol
Property Insights of 5-Methyl-1,3-adamantanediol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1,3-adamantanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 5-Methyl-1,3-adamantanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1,3-adamantanediol 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
Frequently Asked Questions
What is the CAS number of 5-Methyl-1,3-adamantanediol?
The CAS number of 5-Methyl-1,3-adamantanediol is 17837-93-3.
What is the molecular formula of 5-Methyl-1,3-adamantanediol?
The molecular formula of 5-Methyl-1,3-adamantanediol is C11H18O2.
What is the molecular weight of 5-Methyl-1,3-adamantanediol?
The molecular weight of 5-Methyl-1,3-adamantanediol is 182.13 g/mol.
Where can I buy 5-Methyl-1,3-adamantanediol?
You can request a quote for 5-Methyl-1,3-adamantanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1,3-adamantanediol?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1,3-adamantanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.