3-金刚烷基羟甲基酮
TL;DR: 3-金刚烷基羟甲基酮 (CAS 33705-31-6) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-金刚烷基羟甲基酮
1-(1-adamantyl)-2-hydroxyethanone
Also Known As: KETONE, 3-ADAMANTYL HYDROXYMETHYL, 1-(1-adamantyl)-2-hydroxyethanone, Ethanone, 1-(3-adamantyl)-2-hydroxy-, 1-adamantyl hydroxymethyl ketone, 2-Hydroxy-1-adamantyl-1-ethanon
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 33705-31-6 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)CO |
| InChIKey | DJSXPNOHKQWGIH-UHFFFAOYSA-N |
Product Overview
3-金刚烷基羟甲基酮 (CAS 33705-31-6), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 1-(1-adamantyl)-2-hydroxyethanone.
Chemical Property Profile of 3-金刚烷基羟甲基酮
Property Insights of 3-金刚烷基羟甲基酮
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-金刚烷基羟甲基酮. With a topological polar surface area (TPSA) of 37.3 Ų, 3-金刚烷基羟甲基酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-金刚烷基羟甲基酮 has 1 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 3-金刚烷基羟甲基酮?
The CAS number of 3-金刚烷基羟甲基酮 is 33705-31-6.
What is the molecular formula of 3-金刚烷基羟甲基酮?
The molecular formula of 3-金刚烷基羟甲基酮 is C12H18O2.
What is the molecular weight of 3-金刚烷基羟甲基酮?
The molecular weight of 3-金刚烷基羟甲基酮 is 194.13 g/mol.
Where can I buy 3-金刚烷基羟甲基酮?
You can request a quote for 3-金刚烷基羟甲基酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-金刚烷基羟甲基酮?
Yes, KEHONG BIO provides custom synthesis services for 3-金刚烷基羟甲基酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.