methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate
TL;DR: methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate (CAS 339108-00-8) is a chemical compound with molecular formula C7H13NO4S and molecular weight 207.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate
Also Known As: 9H-366S, methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate, methyl (2E)-3-(dimethylamino)-2-(methylsulfonyl)acrylate, methyl (2E)-3-(dimethylamino)-2-methanesulfonylprop-2-enoate, methyl (E)-3-(dimethylamino)-2-methylsulfonyl-prop-2-enoate
| Molecular Formula | C7H13NO4S |
|---|---|
| Molecular Weight | 207.06 g/mol |
| LogP | -0.393 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.05653 |
| Heavy Atoms | 13 |
| Complexity | 315.38425 |
Chemical Identifiers
| CAS Number | 339108-00-8 |
|---|---|
| SMILES | CN(C)/C=C(\C(=O)OC)/S(=O)(=O)C |
Product Overview
methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate (CAS 339108-00-8), with molecular formula C7H13NO4S and molecular weight 207.06 g/mol. IUPAC: methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate.
Chemical Property Profile of methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate
Property Insights of methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate
The XLogP value of -0.393 indicates that methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate. Following Lipinski's Rule of Five, methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate has 0 hydrogen bond donor(s) and 5 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 methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate?
The CAS number of methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate is 339108-00-8.
What is the molecular formula of methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate?
The molecular formula of methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate is C7H13NO4S.
What is the molecular weight of methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate?
The molecular weight of methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate is 207.06 g/mol.
Where can I buy methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate?
You can request a quote for methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (E)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.