Phenyl thiophene-2-carboxylate
TL;DR: Phenyl thiophene-2-carboxylate (CAS 881-89-0) is a chemical compound with molecular formula C11H8O2S and molecular weight 204.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl thiophene-2-carboxylate
Also Known As: phenyl thiophene-2-carboxylate, phenyl thiolformate, Phenyl 2-thiophenecarboxylate, PCMD-CC-MCM-18, Maybridge1_003133
| Molecular Formula | C11H8O2S |
|---|---|
| Molecular Weight | 204.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.0245 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 881-89-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC=CS2 |
| InChIKey | BUCUTHKQTIKRHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl thiophene-2-carboxylate (CAS 881-89-0), with molecular formula C11H8O2S and molecular weight 204.02 g/mol. IUPAC: phenyl thiophene-2-carboxylate.
Chemical Property Profile of Phenyl thiophene-2-carboxylate
Property Insights of Phenyl thiophene-2-carboxylate
The XLogP value of 3.5 indicates that Phenyl thiophene-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, Phenyl thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl thiophene-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 Phenyl thiophene-2-carboxylate?
The CAS number of Phenyl thiophene-2-carboxylate is 881-89-0.
What is the molecular formula of Phenyl thiophene-2-carboxylate?
The molecular formula of Phenyl thiophene-2-carboxylate is C11H8O2S.
What is the molecular weight of Phenyl thiophene-2-carboxylate?
The molecular weight of Phenyl thiophene-2-carboxylate is 204.02 g/mol.
Where can I buy Phenyl thiophene-2-carboxylate?
You can request a quote for Phenyl thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.