2-(Phenylcarbonyl)-1-benzothiophen-3-yl 3-(acetyloxy)benzoate
TL;DR: 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 3-(acetyloxy)benzoate (CAS 372976-68-6) is a chemical compound with molecular formula C24H16O5S and molecular weight 416.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzoyl-1-benzothiophen-3-yl) 3-acetyloxybenzoate
Also Known As: (2-benzoylbenzothiophen-3-yl) 3-acetyloxybenzoate, 2-benzoylbenzo[b]thiophen-3-yl 3-acetoxybenzoate, (2-benzoyl-1-benzothiophen-3-yl) 3-acetyloxybenzoate, 2-(phenylcarbonyl)-1-benzothiophen-3-yl 3-(acetyloxy)benzoate
| Molecular Formula | C24H16O5S |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 5.2768 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.07184 |
| Heavy Atoms | 30 |
| Complexity | 1257.0876 |
Chemical Identifiers
| CAS Number | 372976-68-6 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)C(=O)OC2=C(SC3=CC=CC=C32)C(=O)C4=CC=CC=C4 |
Product Overview
2-(Phenylcarbonyl)-1-benzothiophen-3-yl 3-(acetyloxy)benzoate (CAS 372976-68-6), with molecular formula C24H16O5S and molecular weight 416.07 g/mol. IUPAC: (2-benzoyl-1-benzothiophen-3-yl) 3-acetyloxybenzoate.
Chemical Property Profile of 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 3-(acetyloxy)benzoate
Property Insights of 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 3-(acetyloxy)benzoate
The XLogP value of 5.2768 indicates that 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 3-(acetyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 3-(acetyloxy)benzoate. Following Lipinski's Rule of Five, 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 3-(acetyloxy)benzoate has 0 hydrogen bond donor(s) and 6 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 3-(acetyloxy)benzoate?
The CAS number of 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 3-(acetyloxy)benzoate is 372976-68-6.
What is the molecular formula of 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 3-(acetyloxy)benzoate?
The molecular formula of 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 3-(acetyloxy)benzoate is C24H16O5S.
What is the molecular weight of 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 3-(acetyloxy)benzoate?
The molecular weight of 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 3-(acetyloxy)benzoate is 416.07 g/mol.
Where can I buy 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 3-(acetyloxy)benzoate?
You can request a quote for 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 3-(acetyloxy)benzoate 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 3-(acetyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylcarbonyl)-1-benzothiophen-3-yl 3-(acetyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.