Dimethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate
TL;DR: Dimethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate (CAS 501649-95-2) is a chemical compound with molecular formula C9H16O8S2 and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(2-methoxy-2-oxoethyl)sulfonylpropylsulfonyl]acetate
Also Known As: Dimethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate, methyl 2-[3-(2-methoxy-2-oxoethyl)sulfonylpropylsulfonyl]acetate
| Molecular Formula | C9H16O8S2 |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 316.02866 |
| Heavy Atoms | 19 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 501649-95-2 |
|---|---|
| SMILES | COC(=O)CS(=O)(=O)CCCS(=O)(=O)CC(=O)OC |
| InChIKey | BGYFUNHGPIPDSS-UHFFFAOYSA-N |
Product Overview
Dimethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate (CAS 501649-95-2), with molecular formula C9H16O8S2 and molecular weight 316.03 g/mol. IUPAC: methyl 2-[3-(2-methoxy-2-oxoethyl)sulfonylpropylsulfonyl]acetate.
Chemical Property Profile of Dimethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate
Property Insights of Dimethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate
The XLogP value of -0.8 indicates that Dimethyl 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 Dimethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate. Following Lipinski's Rule of Five, Dimethyl 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 Dimethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate?
The CAS number of Dimethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate is 501649-95-2.
What is the molecular formula of Dimethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate?
The molecular formula of Dimethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate is C9H16O8S2.
What is the molecular weight of Dimethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate?
The molecular weight of Dimethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate is 316.03 g/mol.
Where can I buy Dimethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate?
You can request a quote for Dimethyl 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 Dimethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,2'-(propane-1,3-diyldisulfonyl)diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.