2-(Phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate
TL;DR: 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate (CAS 343589-82-2) is a chemical compound with molecular formula C23H16O3S and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzoyl-1-benzothiophen-3-yl) 4-methylbenzoate
Also Known As: 2-benzoyl-1-benzothien-3-yl 4-methylbenzoate, 2-benzoylbenzo[b]thiophen-3-yl 4-methylbenzoate, AE-848/11419098, (2-benzoyl-1-benzothiophen-3-yl) 4-methylbenzoate, 2-(phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate
| Molecular Formula | C23H16O3S |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 5.65992 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.082 |
| Heavy Atoms | 27 |
| Complexity | 1125.482 |
Chemical Identifiers
| CAS Number | 343589-82-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(SC3=CC=CC=C32)C(=O)C4=CC=CC=C4 |
Product Overview
2-(Phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate (CAS 343589-82-2), with molecular formula C23H16O3S and molecular weight 372.08 g/mol. IUPAC: (2-benzoyl-1-benzothiophen-3-yl) 4-methylbenzoate.
Chemical Property Profile of 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate
Property Insights of 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate
The XLogP value of 5.65992 indicates that 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate 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-(Phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate 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-(Phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate?
The CAS number of 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate is 343589-82-2.
What is the molecular formula of 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate?
The molecular formula of 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate is C23H16O3S.
What is the molecular weight of 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate?
The molecular weight of 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate is 372.08 g/mol.
Where can I buy 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate?
You can request a quote for 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.