Ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate
TL;DR: Ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate (CAS 158875-44-6) is a chemical compound with molecular formula C10H16O2S and molecular weight 200.0871 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate
Also Known As: Ethyl 2-propyl-4,5-dihydrothiophene-3-carboxylate, 2-Propyl-4,5-dihydro-3-thiophenecarboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C10H16O2S |
| Molecular Weight | 200.0871 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 200.0871 Da |
| Heavy Atoms | 13 |
| Complexity | 221.0 |
| SMILES | CCCC1=C(CCS1)C(=O)OCC |
| InChIKey | SXTOLQLHXLFAAY-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate
Property Insights of Ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate. With a topological polar surface area (TPSA) of 51.6 Ų, Ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate has 0 hydrogen bond donor(s) and 3 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 5-propyl-2,3-dihydrothiophene-4-carboxylate?
The CAS number of Ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate is 158875-44-6.
What is the molecular formula of Ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate?
The molecular formula of Ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate is C10H16O2S.
What is the molecular weight of Ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate?
The molecular weight of Ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate is 200.0871 g/mol.
Where can I buy Ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate?
You can request a quote for Ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.