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Ethyl 3-[(2,5-dimethoxyphenyl)thio]propanoate
TL;DR: Ethyl 3-[(2,5-dimethoxyphenyl)thio]propanoate (CAS 255377-87-8) is a chemical compound with molecular formula C13H18O4S and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2,5-dimethoxyphenyl)sulfanylpropanoate
Also Known As: ethyl 3-[(2,5-dimethoxyphenyl)thio]propanoate, ethyl 3-(2,5-dimethoxyphenyl)sulfanylpropanoate, ETHYL3-[ THIO]PROPANOATE, ethyl 3-[(2,5-dimethoxyphenyl)sulfanyl]propanoate, ethyl3-[(2,5-dimethoxyphenyl)thio]propanoate
| Molecular Formula | C13H18O4S |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 2.7491 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 270.0926 |
| Heavy Atoms | 18 |
| Complexity | 392.57767 |
Chemical Identifiers
| CAS Number | 255377-87-8 |
|---|---|
| SMILES | CCOC(=O)CCSC1=C(C=CC(=C1)OC)OC |
Product Overview
Ethyl 3-[(2,5-dimethoxyphenyl)thio]propanoate (CAS 255377-87-8), with molecular formula C13H18O4S and molecular weight 270.09 g/mol. IUPAC: ethyl 3-(2,5-dimethoxyphenyl)sulfanylpropanoate.
Chemical Property Profile of Ethyl 3-[(2,5-dimethoxyphenyl)thio]propanoate
Property Insights of Ethyl 3-[(2,5-dimethoxyphenyl)thio]propanoate
The XLogP value of 2.7491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(2,5-dimethoxyphenyl)thio]propanoate. With a topological polar surface area (TPSA) of 44.76 Ų, Ethyl 3-[(2,5-dimethoxyphenyl)thio]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-[(2,5-dimethoxyphenyl)thio]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
Frequently Asked Questions
What is the CAS number of Ethyl 3-[(2,5-dimethoxyphenyl)thio]propanoate?
The CAS number of Ethyl 3-[(2,5-dimethoxyphenyl)thio]propanoate is 255377-87-8.
What is the molecular formula of Ethyl 3-[(2,5-dimethoxyphenyl)thio]propanoate?
The molecular formula of Ethyl 3-[(2,5-dimethoxyphenyl)thio]propanoate is C13H18O4S.
What is the molecular weight of Ethyl 3-[(2,5-dimethoxyphenyl)thio]propanoate?
The molecular weight of Ethyl 3-[(2,5-dimethoxyphenyl)thio]propanoate is 270.09 g/mol.
Where can I buy Ethyl 3-[(2,5-dimethoxyphenyl)thio]propanoate?
You can request a quote for Ethyl 3-[(2,5-dimethoxyphenyl)thio]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(2,5-dimethoxyphenyl)thio]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(2,5-dimethoxyphenyl)thio]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.