5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 52031-08-0) is a chemical compound with molecular formula C16H20O4 and molecular weight 276.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-(adamantan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, J2.219.138A, 2,2-dimethyl-5-tricyclo[3.3.1.1~3,7~]dec-2-yliden-1,3-dioxane-4,6-dione, Adamantane-2-ylidenemalonic acid isopropylidene ester
| Molecular Formula | C16H20O4 |
|---|---|
| Molecular Weight | 276.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.13617 |
| Heavy Atoms | 20 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 52031-08-0 |
|---|---|
| SMILES | CC1(OC(=O)C(=C2C3CC4CC(C3)CC2C4)C(=O)O1)C |
| InChIKey | SIYYOHROEIZBBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 52031-08-0), with molecular formula C16H20O4 and molecular weight 276.14 g/mol. IUPAC: 5-(2-adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of 3.4 indicates that 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione has 0 hydrogen bond donor(s) and 4 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-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 52031-08-0.
What is the molecular formula of 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is C16H20O4.
What is the molecular weight of 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 276.14 g/mol.
Where can I buy 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.