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Ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate
TL;DR: Ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate (CAS 7145-67-7) is a chemical compound with molecular formula C11H20O8S2 and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate
Also Known As: diethyl 3,3'-(methanediyldisulfonyl)dipropanoate, diethyl 3,3'-(methylenedisulfonyl)dipropionate, Diethyl 3,3'-(methylenedisulfonyl)dipropanoate, 1H-2-Benzopyran-5-carboxylicacid,octahydro-1-oxo, ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate
| Molecular Formula | C11H20O8S2 |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 344.05997 |
| Heavy Atoms | 21 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 7145-67-7 |
|---|---|
| SMILES | CCOC(=O)CCS(=O)(=O)CS(=O)(=O)CCC(=O)OCC |
| InChIKey | YIJAGFWHQHGYGX-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate (CAS 7145-67-7), with molecular formula C11H20O8S2 and molecular weight 344.06 g/mol. IUPAC: ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate.
Chemical Property Profile of Ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate
Property Insights of Ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate
The XLogP value of -0.5 indicates that Ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate. Following Lipinski's Rule of Five, Ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate has 0 hydrogen bond donor(s) and 8 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 Ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate?
The CAS number of Ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate is 7145-67-7.
What is the molecular formula of Ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate?
The molecular formula of Ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate is C11H20O8S2.
What is the molecular weight of Ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate?
The molecular weight of Ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate is 344.06 g/mol.
Where can I buy Ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate?
You can request a quote for Ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylmethylsulfonyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.