5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 74965-92-7) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxane-4,6-dione
Also Known As: 5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione, NCI60_024440, J1.897.652H, 2,2-dimethyl-5-isobutyl-1,3-dioxane-4,6-dione, 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxane-4,6-dione
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 74965-92-7 |
|---|---|
| SMILES | CC(C)CC1C(=O)OC(OC1=O)(C)C |
| InChIKey | BICARUVXPMQQSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 74965-92-7), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 5-Isobutyl-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-Isobutyl-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-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione is 74965-92-7.
What is the molecular formula of 5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione is C10H16O4.
What is the molecular weight of 5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione is 200.10 g/mol.
Where can I buy 5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-Isobutyl-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-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.