![(Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid structure](/static/products/685/685134-71-8.png)
(Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid
TL;DR: (Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid (CAS 685134-71-8) is a chemical compound with molecular formula C20H11BrO4S and molecular weight 425.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoic acid
Also Known As: (Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid, 5-bromo-2-[5-[(3-oxobenzothiophen-2-ylidene)methyl]-2-furyl]benzoic Acid, 5-bromo-2-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoic acid, 5-bromo-2-{5-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid, 5-BROMO-2-(5-{[(2Z)-3-OXO-2,3-DIHYDRO-1-BENZOTHIOPHEN-2-YLIDENE]METHYL}FURAN-2-YL)BENZOIC ACID
| Molecular Formula | C20H11BrO4S |
|---|---|
| Molecular Weight | 425.96 g/mol |
| LogP | 5.7368 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.95615 |
| Heavy Atoms | 26 |
| Complexity | 1080.9202 |
Chemical Identifiers
| CAS Number | 685134-71-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)/C(=C/C3=CC=C(O3)C4=C(C=C(C=C4)Br)C(=O)O)/S2 |
Product Overview
(Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid (CAS 685134-71-8), with molecular formula C20H11BrO4S and molecular weight 425.96 g/mol. IUPAC: 5-bromo-2-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of (Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid
Property Insights of (Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid
The XLogP value of 5.7368 indicates that (Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid. Following Lipinski's Rule of Five, (Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid has 1 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 (Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid?
The CAS number of (Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid is 685134-71-8.
What is the molecular formula of (Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid?
The molecular formula of (Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid is C20H11BrO4S.
What is the molecular weight of (Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid?
The molecular weight of (Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid is 425.96 g/mol.
Where can I buy (Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid?
You can request a quote for (Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-bromo-2-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.