![Methyl 4-benzo[b]thien-2-ylbenzoate structure](/static/products/1329/132932-63-9.webp)
Methyl 4-benzo[b]thien-2-ylbenzoate
TL;DR: Methyl 4-benzo[b]thien-2-ylbenzoate (CAS 132932-63-9) is a chemical compound with molecular formula C16H12O2S and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1-benzothiophen-2-yl)benzoate
Also Known As: Methyl 4-(1-benzothien-2-yl)benzoate, Methyl 4-benzo[b]thien-2-ylbenzoate, Methyl 4-benzothiophen-2-ylbenzoate, Methyl 4-benzo(b)thien-2-ylbenzoate, methyl 4-(1-benzothiophen-2-yl)benzoate
| Molecular Formula | C16H12O2S |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 4.3549 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0558 |
| Heavy Atoms | 19 |
| Complexity | 692.8486 |
Chemical Identifiers
| CAS Number | 132932-63-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3S2 |
Product Overview
Methyl 4-benzo[b]thien-2-ylbenzoate (CAS 132932-63-9), with molecular formula C16H12O2S and molecular weight 268.06 g/mol. IUPAC: methyl 4-(1-benzothiophen-2-yl)benzoate.
Chemical Property Profile of Methyl 4-benzo[b]thien-2-ylbenzoate
Property Insights of Methyl 4-benzo[b]thien-2-ylbenzoate
The XLogP value of 4.3549 indicates that Methyl 4-benzo[b]thien-2-ylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-benzo[b]thien-2-ylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-benzo[b]thien-2-ylbenzoate 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 Methyl 4-benzo[b]thien-2-ylbenzoate?
The CAS number of Methyl 4-benzo[b]thien-2-ylbenzoate is 132932-63-9.
What is the molecular formula of Methyl 4-benzo[b]thien-2-ylbenzoate?
The molecular formula of Methyl 4-benzo[b]thien-2-ylbenzoate is C16H12O2S.
What is the molecular weight of Methyl 4-benzo[b]thien-2-ylbenzoate?
The molecular weight of Methyl 4-benzo[b]thien-2-ylbenzoate is 268.06 g/mol.
Where can I buy Methyl 4-benzo[b]thien-2-ylbenzoate?
You can request a quote for Methyl 4-benzo[b]thien-2-ylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-benzo[b]thien-2-ylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-benzo[b]thien-2-ylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.