Ethyl 3-(ethoxysulfinyl)propanoate
TL;DR: Ethyl 3-(ethoxysulfinyl)propanoate (CAS 104802-87-1) is a chemical compound with molecular formula C7H14O4S and molecular weight 194.06128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-ethoxysulfinylpropanoate
Also Known As: Ethyl 3-(ethoxysulfinyl)propanoate, ethyl 3-ethoxysulfinylpropanoate, 2-Chloro-5-ethylpyridine hydrochloride, beta-(Hydroxysulfinyl)propionic acid diethyl ester, Propanoic acid, 3-(ethoxysulfinyl)-, ethyl ester
Technical Specifications
| Molecular Formula | C7H14O4S |
| Molecular Weight | 194.06128 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 194.06128 Da |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
| SMILES | CCOC(=O)CCS(=O)OCC |
| InChIKey | HRIHIVUMLMAKQL-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-(ethoxysulfinyl)propanoate
Property Insights of Ethyl 3-(ethoxysulfinyl)propanoate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(ethoxysulfinyl)propanoate. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(ethoxysulfinyl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-(ethoxysulfinyl)propanoate 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
What is the CAS number of Ethyl 3-(ethoxysulfinyl)propanoate?
The CAS number of Ethyl 3-(ethoxysulfinyl)propanoate is 104802-87-1.
What is the molecular formula of Ethyl 3-(ethoxysulfinyl)propanoate?
The molecular formula of Ethyl 3-(ethoxysulfinyl)propanoate is C7H14O4S.
What is the molecular weight of Ethyl 3-(ethoxysulfinyl)propanoate?
The molecular weight of Ethyl 3-(ethoxysulfinyl)propanoate is 194.06128 g/mol.
Where can I buy Ethyl 3-(ethoxysulfinyl)propanoate?
You can request a quote for Ethyl 3-(ethoxysulfinyl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-(ethoxysulfinyl)propanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-(ethoxysulfinyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.