![4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate structure](/static/products/338/338426-68-9.png)
4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate
TL;DR: 4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate (CAS 338426-68-9) is a chemical compound with molecular formula C17H11BrO3S and molecular weight 373.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-bromo-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] acetate
Also Known As: BAS 02054892, (Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate, 4-bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate, [4-bromo-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] acetate, 4-bromo-2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl acetate
| Molecular Formula | C17H11BrO3S |
|---|---|
| Molecular Weight | 373.96 g/mol |
| LogP | 4.7039 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.96124 |
| Heavy Atoms | 22 |
| Complexity | 811.3014 |
Chemical Identifiers
| CAS Number | 338426-68-9 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)Br)/C=C\2/C(=O)C3=CC=CC=C3S2 |
Product Overview
4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate (CAS 338426-68-9), with molecular formula C17H11BrO3S and molecular weight 373.96 g/mol. IUPAC: [4-bromo-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] acetate.
Chemical Property Profile of 4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate
Property Insights of 4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate
The XLogP value of 4.7039 indicates that 4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate has 0 hydrogen bond donor(s) and 4 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 4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate?
The CAS number of 4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate is 338426-68-9.
What is the molecular formula of 4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate?
The molecular formula of 4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate is C17H11BrO3S.
What is the molecular weight of 4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate?
The molecular weight of 4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate is 373.96 g/mol.
Where can I buy 4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate?
You can request a quote for 4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.