2,2-Dimethyl-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione
TL;DR: 2,2-Dimethyl-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione (CAS 15875-50-0) is a chemical compound with molecular formula C11H10O4S and molecular weight 238.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione
Also Known As: Thienyliden-meldrumsaeure, Maybridge1_002805, DivK1c_001557, 2,2-dimethyl-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione, 2,2-Dimethyl-5-(thiophen-2-ylmethylene)-1,3-dioxane-4,6-dione
| Molecular Formula | C11H10O4S |
|---|---|
| Molecular Weight | 238.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.02998 |
| Heavy Atoms | 16 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 15875-50-0 |
|---|---|
| SMILES | CC1(OC(=O)C(=CC2=CC=CS2)C(=O)O1)C |
| InChIKey | NUWFXIJTIAJXML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione (CAS 15875-50-0), with molecular formula C11H10O4S and molecular weight 238.03 g/mol. IUPAC: 2,2-dimethyl-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione.
Chemical Property Profile of 2,2-Dimethyl-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione
Property Insights of 2,2-Dimethyl-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione has 0 hydrogen bond donor(s) and 5 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 2,2-Dimethyl-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione?
The CAS number of 2,2-Dimethyl-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione is 15875-50-0.
What is the molecular formula of 2,2-Dimethyl-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione?
The molecular formula of 2,2-Dimethyl-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione is C11H10O4S.
What is the molecular weight of 2,2-Dimethyl-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione?
The molecular weight of 2,2-Dimethyl-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione is 238.03 g/mol.
Where can I buy 2,2-Dimethyl-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione?
You can request a quote for 2,2-Dimethyl-5-(2-thienylmethylene)-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 2,2-Dimethyl-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.