2-Oxo-2-phenylethyl thiophene-2-carboxylate
TL;DR: 2-Oxo-2-phenylethyl thiophene-2-carboxylate (CAS 284665-52-7) is a chemical compound with molecular formula C13H10O3S and molecular weight 246.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl thiophene-2-carboxylate
Also Known As: 2-oxo-2-phenylethyl thiophene-2-carboxylate, phenacyl thiophene-2-carboxylate, 2-Oxo-2-phenylethyl 2-thiophenecarboxylate, BAS 00722682, 2-Oxo-2-phenylethyl 2-thiophenecarboxylate #
| Molecular Formula | C13H10O3S |
|---|---|
| Molecular Weight | 246.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.03506 |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 284665-52-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CS2 |
| InChIKey | SGPCEFGITALHGC-UHFFFAOYSA-N |
Product Overview
2-Oxo-2-phenylethyl thiophene-2-carboxylate (CAS 284665-52-7), with molecular formula C13H10O3S and molecular weight 246.04 g/mol. IUPAC: phenacyl thiophene-2-carboxylate.
Chemical Property Profile of 2-Oxo-2-phenylethyl thiophene-2-carboxylate
Property Insights of 2-Oxo-2-phenylethyl thiophene-2-carboxylate
The XLogP value of 3.2 indicates that 2-Oxo-2-phenylethyl thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-phenylethyl thiophene-2-carboxylate. Following Lipinski's Rule of Five, 2-Oxo-2-phenylethyl thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 2-Oxo-2-phenylethyl thiophene-2-carboxylate?
The CAS number of 2-Oxo-2-phenylethyl thiophene-2-carboxylate is 284665-52-7.
What is the molecular formula of 2-Oxo-2-phenylethyl thiophene-2-carboxylate?
The molecular formula of 2-Oxo-2-phenylethyl thiophene-2-carboxylate is C13H10O3S.
What is the molecular weight of 2-Oxo-2-phenylethyl thiophene-2-carboxylate?
The molecular weight of 2-Oxo-2-phenylethyl thiophene-2-carboxylate is 246.04 g/mol.
Where can I buy 2-Oxo-2-phenylethyl thiophene-2-carboxylate?
You can request a quote for 2-Oxo-2-phenylethyl 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 2-Oxo-2-phenylethyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-phenylethyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.