4-Methoxy-2,6-adamantanedione
TL;DR: 4-Methoxy-2,6-adamantanedione (CAS 56781-90-9) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxyadamantane-2,6-dione
Also Known As: 4-Methoxy-2,6-adamantanedione, 4-methoxyadamantane-2,6-dione, 4-Methoxy-2,6-adamantanedione #, 4-Methoxytricyclo[3.3.1.13,7]decane-2,6-dione, Tricyclo[3.3.1.1(3,7)y]decane-2,6-dione, 4-methoxy-
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 56781-90-9 |
|---|---|
| SMILES | COC1C2CC3CC(C2=O)CC1C3=O |
| InChIKey | NQJBXEPFHPHERE-UHFFFAOYSA-N |
Product Overview
4-Methoxy-2,6-adamantanedione (CAS 56781-90-9), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 4-methoxyadamantane-2,6-dione.
Chemical Property Profile of 4-Methoxy-2,6-adamantanedione
Property Insights of 4-Methoxy-2,6-adamantanedione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-2,6-adamantanedione. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Methoxy-2,6-adamantanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-2,6-adamantanedione has 0 hydrogen bond donor(s) and 3 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 4-Methoxy-2,6-adamantanedione?
The CAS number of 4-Methoxy-2,6-adamantanedione is 56781-90-9.
What is the molecular formula of 4-Methoxy-2,6-adamantanedione?
The molecular formula of 4-Methoxy-2,6-adamantanedione is C11H14O3.
What is the molecular weight of 4-Methoxy-2,6-adamantanedione?
The molecular weight of 4-Methoxy-2,6-adamantanedione is 194.09 g/mol.
Where can I buy 4-Methoxy-2,6-adamantanedione?
You can request a quote for 4-Methoxy-2,6-adamantanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-2,6-adamantanedione?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-2,6-adamantanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.