Ethyl 5-chlorothiophene-2-carboxylate
TL;DR: Ethyl 5-chlorothiophene-2-carboxylate (CAS 5751-82-6) is a chemical compound with molecular formula C7H7ClO2S and molecular weight 189.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-chlorothiophene-2-carboxylate
Also Known As: Ethyl 5-chlorothiophene-2-carboxylate, Ethyl 5-chloro-2-thiophenecarboxylate, Ethyl 5-chlorothiophene-2-carboxate, Ethyl5-chlorothiophene-2-carboxlate, 5-Chlorothiophene-2-carboxylic acid ethyl ester
| Molecular Formula | C7H7ClO2S |
|---|---|
| Molecular Weight | 189.99 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.98553 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 5751-82-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(S1)Cl |
| InChIKey | BMOKMXXTOZFEIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-chlorothiophene-2-carboxylate (CAS 5751-82-6), with molecular formula C7H7ClO2S and molecular weight 189.99 g/mol. IUPAC: ethyl 5-chlorothiophene-2-carboxylate.
Chemical Property Profile of Ethyl 5-chlorothiophene-2-carboxylate
Property Insights of Ethyl 5-chlorothiophene-2-carboxylate
The XLogP value of 3.1 indicates that Ethyl 5-chlorothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, Ethyl 5-chlorothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-chlorothiophene-2-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
Frequently Asked Questions
What is the CAS number of Ethyl 5-chlorothiophene-2-carboxylate?
The CAS number of Ethyl 5-chlorothiophene-2-carboxylate is 5751-82-6.
What is the molecular formula of Ethyl 5-chlorothiophene-2-carboxylate?
The molecular formula of Ethyl 5-chlorothiophene-2-carboxylate is C7H7ClO2S.
What is the molecular weight of Ethyl 5-chlorothiophene-2-carboxylate?
The molecular weight of Ethyl 5-chlorothiophene-2-carboxylate is 189.99 g/mol.
Where can I buy Ethyl 5-chlorothiophene-2-carboxylate?
You can request a quote for Ethyl 5-chlorothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-chlorothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-chlorothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.