Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate
TL;DR: Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate (CAS 78580-34-4) is a chemical compound with molecular formula C10H18O8S2 and molecular weight 330.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfonylethylsulfonyl]acetate
Also Known As: J2.172.385A, Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate, ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfonylethylsulfonyl]acetate, 2,2 -[Ethylenebis(sulfonyl)]bis(acetic acid ethyl) ester, ETHYL 2-[2-(2-ETHOXY-2-OXOETHANESULFONYL)ETHANESULFONYL]ACETATE
| Molecular Formula | C10H18O8S2 |
|---|---|
| Molecular Weight | 330.04 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 330.0443 |
| Heavy Atoms | 20 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 78580-34-4 |
|---|---|
| SMILES | CCOC(=O)CS(=O)(=O)CCS(=O)(=O)CC(=O)OCC |
| InChIKey | HVWFGNQVXRHBOF-UHFFFAOYSA-N |
Product Overview
Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate (CAS 78580-34-4), with molecular formula C10H18O8S2 and molecular weight 330.04 g/mol. IUPAC: ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfonylethylsulfonyl]acetate.
Chemical Property Profile of Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate
Property Insights of Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate
The XLogP value of -0.4 indicates that Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate 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 Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate. Following Lipinski's Rule of Five, Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate 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 Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate?
The CAS number of Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate is 78580-34-4.
What is the molecular formula of Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate?
The molecular formula of Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate is C10H18O8S2.
What is the molecular weight of Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate?
The molecular weight of Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate is 330.04 g/mol.
Where can I buy Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate?
You can request a quote for Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2'-(ethane-1,2-diyldisulfonyl)diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.