![2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane structure](/static/products/6311/63114-05-6.webp)
2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane
TL;DR: 2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane (CAS 63114-05-6) is a chemical compound with molecular formula C12H12O8S2 and molecular weight 348.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[4-(1,3-dimethoxy-1,3-dioxopropan-2-ylidene)-1,3-dithietan-2-ylidene]propanedioate
Also Known As: 2,4-bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane, AO-638/15166020, tetramethyl 2,2'-(1,3-dithietane-2,4-diylidene)dimalonate, dimethyl 2-[4-(1,3-dimethoxy-1,3-dioxopropan-2-ylidene)-1,3-dithietan-2-ylidene]propanedioate, dimethyl 2-{4-[2-methoxy-1-(methoxycarbonyl)-2-oxoethylidene]-1,3-dithietan-2-ylidene}malonate
| Molecular Formula | C12H12O8S2 |
|---|---|
| Molecular Weight | 348.00 g/mol |
| LogP | -1.197 |
| Topological Polar Surface Area | 105.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.99734 |
| Heavy Atoms | 22 |
| Complexity | 611.38464 |
Chemical Identifiers
| CAS Number | 63114-05-6 |
|---|---|
| SMILES | COC(=O)C(=C1SC(=C(C(=O)OC)C(=O)OC)S1)C(=O)OC |
Product Overview
2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane (CAS 63114-05-6), with molecular formula C12H12O8S2 and molecular weight 348.00 g/mol. IUPAC: dimethyl 2-[4-(1,3-dimethoxy-1,3-dioxopropan-2-ylidene)-1,3-dithietan-2-ylidene]propanedioate.
Chemical Property Profile of 2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane
Property Insights of 2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane
The XLogP value of -1.197 indicates that 2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane. Following Lipinski's Rule of Five, 2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane has 0 hydrogen bond donor(s) and 10 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 2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane?
The CAS number of 2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane is 63114-05-6.
What is the molecular formula of 2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane?
The molecular formula of 2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane is C12H12O8S2.
What is the molecular weight of 2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane?
The molecular weight of 2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane is 348.00 g/mol.
Where can I buy 2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane?
You can request a quote for 2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis[bis(methoxycarbonyl)methylidene]-1,3-dithietane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.