3-噻吩甲酸乙酯
TL;DR: 3-噻吩甲酸乙酯 (CAS 5751-80-4) is a chemical compound with molecular formula C7H8O2S and molecular weight 156.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-噻吩甲酸乙酯
ethyl thiophene-3-carboxylate
Also Known As: ethyl thiophene-3-carboxylate, Ethyl 3-thenoate, ethyl 3-thiophenecarboxylate, Ethyl 3-thienylacetate, Ethylthiophene-3-carboxylate
| Molecular Formula | C7H8O2S |
|---|---|
| Molecular Weight | 156.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.0245 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 5751-80-4 |
|---|---|
| SMILES | CCOC(=O)C1=CSC=C1 |
| InChIKey | OYSLMAQEMAJMCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-噻吩甲酸乙酯 (CAS 5751-80-4), with molecular formula C7H8O2S and molecular weight 156.02 g/mol. IUPAC: ethyl thiophene-3-carboxylate.
Chemical Property Profile of 3-噻吩甲酸乙酯
Property Insights of 3-噻吩甲酸乙酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-噻吩甲酸乙酯. With a topological polar surface area (TPSA) of 54.5 Ų, 3-噻吩甲酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-噻吩甲酸乙酯 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
Frequently Asked Questions
What is the CAS number of 3-噻吩甲酸乙酯?
The CAS number of 3-噻吩甲酸乙酯 is 5751-80-4.
What is the molecular formula of 3-噻吩甲酸乙酯?
The molecular formula of 3-噻吩甲酸乙酯 is C7H8O2S.
What is the molecular weight of 3-噻吩甲酸乙酯?
The molecular weight of 3-噻吩甲酸乙酯 is 156.02 g/mol.
Where can I buy 3-噻吩甲酸乙酯?
You can request a quote for 3-噻吩甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-噻吩甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 3-噻吩甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.