![O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate structure](/static/products/805/80545-44-4.png)
O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate
TL;DR: O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate (CAS 80545-44-4) is a chemical compound with molecular formula C27H44N4O7SSi2 and molecular weight 624.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate
Also Known As: O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate, O-[8-(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)tetrahydro-2H,4H,6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 1H-imidazole-1-carbothioate
| Molecular Formula | C27H44N4O7SSi2 |
|---|---|
| Molecular Weight | 624.25 g/mol |
| LogP | 3.8952 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 624.24695 |
| Heavy Atoms | 41 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 80545-44-4 |
|---|---|
| SMILES | CC(C)[Si]1(OCC2C(C(C(O2)C3=CN(C(=O)N(C3=O)C)C)OC(=S)N4C=CN=C4)O[Si](O1)(C(C)C)C(C)C)C(C)C |
| InChIKey | MWYGIUPXEZQBHB-UHFFFAOYSA-N |
Product Overview
O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate (CAS 80545-44-4), with molecular formula C27H44N4O7SSi2 and molecular weight 624.25 g/mol. IUPAC: O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate.
Chemical Property Profile of O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate
Property Insights of O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate
The XLogP value of 3.8952 indicates that O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate. Following Lipinski's Rule of Five, O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate?
The CAS number of O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate is 80545-44-4.
What is the molecular formula of O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate?
The molecular formula of O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate is C27H44N4O7SSi2.
What is the molecular weight of O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate?
The molecular weight of O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate is 624.25 g/mol.
Where can I buy O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate?
You can request a quote for O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for O-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] imidazole-1-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.