Thiophen-2-yl benzoate
TL;DR: Thiophen-2-yl benzoate (CAS 16693-98-4) 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.
thiophen-2-yl benzoate
Also Known As: thiophen-2-yl benzoate, 2-Thienyl benzoate, thiophenyl benzoate, 2-Thienyl benzoate #, Thiophene-2-ol, benzoate
| Molecular Formula | C11H8O2S |
|---|---|
| Molecular Weight | 204.02 g/mol |
| LogP | 3.3 |
| 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 | 16693-98-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=CS2 |
| InChIKey | DLDNGXJAIMHIKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiophen-2-yl benzoate (CAS 16693-98-4), with molecular formula C11H8O2S and molecular weight 204.02 g/mol. IUPAC: thiophen-2-yl benzoate.
Chemical Property Profile of Thiophen-2-yl benzoate
Property Insights of Thiophen-2-yl benzoate
The XLogP value of 3.3 indicates that Thiophen-2-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, Thiophen-2-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiophen-2-yl benzoate 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 Thiophen-2-yl benzoate?
The CAS number of Thiophen-2-yl benzoate is 16693-98-4.
What is the molecular formula of Thiophen-2-yl benzoate?
The molecular formula of Thiophen-2-yl benzoate is C11H8O2S.
What is the molecular weight of Thiophen-2-yl benzoate?
The molecular weight of Thiophen-2-yl benzoate is 204.02 g/mol.
Where can I buy Thiophen-2-yl benzoate?
You can request a quote for Thiophen-2-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophen-2-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for Thiophen-2-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.