Diethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate
TL;DR: Diethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate (CAS 501649-98-5) 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 2-[3-(2-ethoxy-2-oxoethyl)sulfonylpropylsulfonyl]acetate
Also Known As: Diethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate, ethyl 2-[3-(2-ethoxy-2-oxoethyl)sulfonylpropylsulfonyl]acetate
| Molecular Formula | C11H20O8S2 |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | -0.1 |
| 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 | 501649-98-5 |
|---|---|
| SMILES | CCOC(=O)CS(=O)(=O)CCCS(=O)(=O)CC(=O)OCC |
| InChIKey | GHDXOOSOBRHVRE-UHFFFAOYSA-N |
Product Overview
Diethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate (CAS 501649-98-5), with molecular formula C11H20O8S2 and molecular weight 344.06 g/mol. IUPAC: ethyl 2-[3-(2-ethoxy-2-oxoethyl)sulfonylpropylsulfonyl]acetate.
Chemical Property Profile of Diethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate
Property Insights of Diethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate
The XLogP value of -0.1 indicates that Diethyl 2,2'-(propane-1,3-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'-(propane-1,3-diyldisulfonyl)diacetate. Following Lipinski's Rule of Five, Diethyl 2,2'-(propane-1,3-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'-(propane-1,3-diyldisulfonyl)diacetate?
The CAS number of Diethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate is 501649-98-5.
What is the molecular formula of Diethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate?
The molecular formula of Diethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate is C11H20O8S2.
What is the molecular weight of Diethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate?
The molecular weight of Diethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate is 344.06 g/mol.
Where can I buy Diethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate?
You can request a quote for Diethyl 2,2'-(propane-1,3-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'-(propane-1,3-diyldisulfonyl)diacetate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.