Methyl 2-(1-benzothien-2-yl)benzoate
TL;DR: Methyl 2-(1-benzothien-2-yl)benzoate (CAS 1022235-86-4) is a chemical compound with molecular formula C16H12O2S and molecular weight 268.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(1-benzothiophen-2-yl)benzoate
Also Known As: Methyl 2-(1-benzothien-2-yl)benzoate, Methyl 2-benzothiophen-2-ylbenzoate, methyl 2-(1-benzothiophen-2-yl)benzoate
Technical Specifications
| Molecular Formula | C16H12O2S |
| Molecular Weight | 268.0558 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0558 Da |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
| SMILES | COC(=O)C1=CC=CC=C1C2=CC3=CC=CC=C3S2 |
| InChIKey | ONEOVWQLVYZBLM-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(1-benzothien-2-yl)benzoate
Property Insights of Methyl 2-(1-benzothien-2-yl)benzoate
The XLogP value of 4.5 indicates that Methyl 2-(1-benzothien-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, Methyl 2-(1-benzothien-2-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(1-benzothien-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
What is the CAS number of Methyl 2-(1-benzothien-2-yl)benzoate?
The CAS number of Methyl 2-(1-benzothien-2-yl)benzoate is 1022235-86-4.
What is the molecular formula of Methyl 2-(1-benzothien-2-yl)benzoate?
The molecular formula of Methyl 2-(1-benzothien-2-yl)benzoate is C16H12O2S.
What is the molecular weight of Methyl 2-(1-benzothien-2-yl)benzoate?
The molecular weight of Methyl 2-(1-benzothien-2-yl)benzoate is 268.0558 g/mol.
Where can I buy Methyl 2-(1-benzothien-2-yl)benzoate?
You can request a quote for Methyl 2-(1-benzothien-2-yl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(1-benzothien-2-yl)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(1-benzothien-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.