5,5-Dichloro-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5,5-Dichloro-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 477558-77-3) is a chemical compound with molecular formula C6H6Cl2O4 and molecular weight 211.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dichloro-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 5,5-dichloro-2,2-dimethyl-1,3-dioxane-4,6-dione, 5,5-Dichloro-2,2-dimethyl[1,3]dioxane-4,6-dione, J3.578.871I, 2,2-Dimethyl-5,5-dichloro-1,3-dioxane-4,6-dione, 968-250-1
| Molecular Formula | C6H6Cl2O4 |
|---|---|
| Molecular Weight | 211.96 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.96431 |
| Heavy Atoms | 12 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 477558-77-3 |
|---|---|
| SMILES | CC1(OC(=O)C(C(=O)O1)(Cl)Cl)C |
| InChIKey | ZAEBZFNVMNVWES-UHFFFAOYSA-N |
Product Overview
5,5-Dichloro-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 477558-77-3), with molecular formula C6H6Cl2O4 and molecular weight 211.96 g/mol. IUPAC: 5,5-dichloro-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5,5-Dichloro-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5,5-Dichloro-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dichloro-2,2-dimethyl-1,3-dioxane-4,6-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 5,5-Dichloro-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, 5,5-Dichloro-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 5,5-Dichloro-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5,5-Dichloro-2,2-dimethyl-1,3-dioxane-4,6-dione is 477558-77-3.
What is the molecular formula of 5,5-Dichloro-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5,5-Dichloro-2,2-dimethyl-1,3-dioxane-4,6-dione is C6H6Cl2O4.
What is the molecular weight of 5,5-Dichloro-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5,5-Dichloro-2,2-dimethyl-1,3-dioxane-4,6-dione is 211.96 g/mol.
Where can I buy 5,5-Dichloro-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5,5-Dichloro-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 5,5-Dichloro-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dichloro-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.