2-Acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate
TL;DR: 2-Acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate (CAS 372975-36-5) is a chemical compound with molecular formula C21H20O3S and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyl-1-benzothiophen-3-yl) 4-tert-butylbenzoate
Also Known As: 2-acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate, 2-acetylbenzo[b]thiophen-3-yl 4-(tert-butyl)benzoate, AB01330147-02, (2-acetyl-1-benzothiophen-3-yl) 4-tert-butylbenzoate, 2-ACETYL-1-BENZOTHIOPHEN-3-YL 4-(TERT-BUTYL)BENZOATE
| Molecular Formula | C21H20O3S |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 5.6206 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.1133 |
| Heavy Atoms | 25 |
| Complexity | 943.42676 |
Chemical Identifiers
| CAS Number | 372975-36-5 |
|---|---|
| SMILES | CC(=O)C1=C(C2=CC=CC=C2S1)OC(=O)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
2-Acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate (CAS 372975-36-5), with molecular formula C21H20O3S and molecular weight 352.11 g/mol. IUPAC: (2-acetyl-1-benzothiophen-3-yl) 4-tert-butylbenzoate.
Chemical Property Profile of 2-Acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate
Property Insights of 2-Acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate
The XLogP value of 5.6206 indicates that 2-Acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-Acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate?
The CAS number of 2-Acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate is 372975-36-5.
What is the molecular formula of 2-Acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate?
The molecular formula of 2-Acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate is C21H20O3S.
What is the molecular weight of 2-Acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate?
The molecular weight of 2-Acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate is 352.11 g/mol.
Where can I buy 2-Acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate?
You can request a quote for 2-Acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-1-benzothiophen-3-yl 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.