Dimethyl 2,2'-(sulphonylbis(methylene))bis(3-oxoacetoacetate)
TL;DR: Dimethyl 2,2'-(sulphonylbis(methylene))bis(3-oxoacetoacetate) (CAS 3179-29-1) is a chemical compound with molecular formula C12H18O8S and molecular weight 322.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-methoxycarbonyl-3-oxobutyl)sulfonylmethyl]-3-oxobutanoate
Also Known As: Dimethyl 2,2'-(sulphonylbis(methylene))bis(3-oxoacetoacetate), Dimethyl 2,2'-[sulfonylbis(methylene)]bis(3-oxobutanoate), Dimethyl 2,2'-[sulphonylbis(methylene)]bis[3-oxoacetoacetate], 2,2 -[Sulfonylbis(methylene)]bis(3-oxobutanoic acid methyl) ester, Butanoic acid, 2,2'-(sulfonylbis(methylene))bis(3-oxo-, dimethyl ester
| Molecular Formula | C12H18O8S |
|---|---|
| Molecular Weight | 322.07 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 322.07224 |
| Heavy Atoms | 21 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 3179-29-1 |
|---|---|
| SMILES | CC(=O)C(CS(=O)(=O)CC(C(=O)C)C(=O)OC)C(=O)OC |
| InChIKey | MDQHSYAMTJHGHE-UHFFFAOYSA-N |
Product Overview
Dimethyl 2,2'-(sulphonylbis(methylene))bis(3-oxoacetoacetate) (CAS 3179-29-1), with molecular formula C12H18O8S and molecular weight 322.07 g/mol. IUPAC: methyl 2-[(2-methoxycarbonyl-3-oxobutyl)sulfonylmethyl]-3-oxobutanoate.
Chemical Property Profile of Dimethyl 2,2'-(sulphonylbis(methylene))bis(3-oxoacetoacetate)
Property Insights of Dimethyl 2,2'-(sulphonylbis(methylene))bis(3-oxoacetoacetate)
The XLogP value of -0.8 indicates that Dimethyl 2,2'-(sulphonylbis(methylene))bis(3-oxoacetoacetate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2,2'-(sulphonylbis(methylene))bis(3-oxoacetoacetate). Following Lipinski's Rule of Five, Dimethyl 2,2'-(sulphonylbis(methylene))bis(3-oxoacetoacetate) 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'-(sulphonylbis(methylene))bis(3-oxoacetoacetate)?
The CAS number of Dimethyl 2,2'-(sulphonylbis(methylene))bis(3-oxoacetoacetate) is 3179-29-1.
What is the molecular formula of Dimethyl 2,2'-(sulphonylbis(methylene))bis(3-oxoacetoacetate)?
The molecular formula of Dimethyl 2,2'-(sulphonylbis(methylene))bis(3-oxoacetoacetate) is C12H18O8S.
What is the molecular weight of Dimethyl 2,2'-(sulphonylbis(methylene))bis(3-oxoacetoacetate)?
The molecular weight of Dimethyl 2,2'-(sulphonylbis(methylene))bis(3-oxoacetoacetate) is 322.07 g/mol.
Where can I buy Dimethyl 2,2'-(sulphonylbis(methylene))bis(3-oxoacetoacetate)?
You can request a quote for Dimethyl 2,2'-(sulphonylbis(methylene))bis(3-oxoacetoacetate) 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'-(sulphonylbis(methylene))bis(3-oxoacetoacetate)?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,2'-(sulphonylbis(methylene))bis(3-oxoacetoacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.