![4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate structure](/static/products/844/84449-64-9.png)
4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate
TL;DR: 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate (CAS 84449-64-9) is a chemical compound with molecular formula C28H18O4S and molecular weight 450.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(6-benzoyloxy-1-benzothiophen-2-yl)phenyl] benzoate
Also Known As: 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate, [4-(6-benzoyloxy-1-benzothiophen-2-yl)phenyl] benzoate, 2-(4-Benzoyloxyphenyl)-6-Benzoyloxybenzo[b]thiophene, 2-[4-(Benzoyloxy)phenyl]benzo[b]thiophene-6-ol 6-benzoate, 2-[4-(benzoyloxy)phenyl]-1-benzothiophen-6-yl benzoate
| Molecular Formula | C28H18O4S |
|---|---|
| Molecular Weight | 450.09 g/mol |
| LogP | 7.0067 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.0926 |
| Heavy Atoms | 33 |
| Complexity | 1421.8087 |
Chemical Identifiers
| CAS Number | 84449-64-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC4=C(S3)C=C(C=C4)OC(=O)C5=CC=CC=C5 |
Product Overview
4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate (CAS 84449-64-9), with molecular formula C28H18O4S and molecular weight 450.09 g/mol. IUPAC: [4-(6-benzoyloxy-1-benzothiophen-2-yl)phenyl] benzoate.
Chemical Property Profile of 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate
Property Insights of 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate
The XLogP value of 7.0067 indicates that 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate?
The CAS number of 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate is 84449-64-9.
What is the molecular formula of 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate?
The molecular formula of 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate is C28H18O4S.
What is the molecular weight of 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate?
The molecular weight of 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate is 450.09 g/mol.
Where can I buy 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate?
You can request a quote for 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.