tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate
TL;DR: tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate (CAS 303101-85-1) is a chemical compound with molecular formula C18H28O10S and molecular weight 436.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(3S,4S)-4-(1,3-diethoxy-1,3-dioxopropan-2-yl)-1,1-dioxothiolan-3-yl]propanedioate
Also Known As: tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate, diethyl 2-[(3S,4S)-4-(1,3-diethoxy-1,3-dioxopropan-2-yl)-1,1-dioxothiolan-3-yl]propanedioate
| Molecular Formula | C18H28O10S |
|---|---|
| Molecular Weight | 436.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 436.14032 |
| Heavy Atoms | 29 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 303101-85-1 |
|---|---|
| SMILES | CCOC(=O)C([C@@H]1CS(=O)(=O)C[C@H]1C(C(=O)OCC)C(=O)OCC)C(=O)OCC |
| InChIKey | HVAYKSQZICOOFW-VXGBXAGGSA-N |
Product Overview
tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate (CAS 303101-85-1), with molecular formula C18H28O10S and molecular weight 436.14 g/mol. IUPAC: diethyl 2-[(3S,4S)-4-(1,3-diethoxy-1,3-dioxopropan-2-yl)-1,1-dioxothiolan-3-yl]propanedioate.
Chemical Property Profile of tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate
Property Insights of tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate. The TPSA of 148.0 Ų indicates high polarity, suggesting tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate 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 tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate?
The CAS number of tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate is 303101-85-1.
What is the molecular formula of tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate?
The molecular formula of tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate is C18H28O10S.
What is the molecular weight of tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate?
The molecular weight of tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate is 436.14 g/mol.
Where can I buy tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate?
You can request a quote for tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate?
Yes, KEHONG BIO provides custom synthesis services for tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.