![4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid structure](/static/products/508/508185-05-5.png)
4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid
TL;DR: 4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid (CAS 508185-05-5) is a chemical compound with molecular formula C21H14BrN3O4 and molecular weight 451.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(Z)-[(5-bromo-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
Also Known As: AH-487/40956125, 4-[2-[(Z)-[(5-bromo-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid, 4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid, (Z)-4-(2-((2-(5-bromobenzofuran-2-carbonyl)hydrazono)methyl)-1H-pyrrol-1-yl)benzoic acid, 4-[2-[(Z)-[(5-bromobenzofuran-2-carbonyl)hydrazono]methyl]pyrrol-1-yl]benzoic acid
| Molecular Formula | C21H14BrN3O4 |
|---|---|
| Molecular Weight | 451.02 g/mol |
| LogP | 4.4481 |
| Topological Polar Surface Area | 96.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.01678 |
| Heavy Atoms | 29 |
| Complexity | 1238.545 |
Chemical Identifiers
| CAS Number | 508185-05-5 |
|---|---|
| SMILES | C1=CN(C(=C1)/C=N\NC(=O)C2=CC3=C(O2)C=CC(=C3)Br)C4=CC=C(C=C4)C(=O)O |
Product Overview
4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid (CAS 508185-05-5), with molecular formula C21H14BrN3O4 and molecular weight 451.02 g/mol. IUPAC: 4-[2-[(Z)-[(5-bromo-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid.
Chemical Property Profile of 4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid
Property Insights of 4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid
The XLogP value of 4.4481 indicates that 4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid. Following Lipinski's Rule of Five, 4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid has 2 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-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid?
The CAS number of 4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid is 508185-05-5.
What is the molecular formula of 4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid?
The molecular formula of 4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid is C21H14BrN3O4.
What is the molecular weight of 4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid?
The molecular weight of 4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid is 451.02 g/mol.
Where can I buy 4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid?
You can request a quote for 4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-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 4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[(5-Bromo-benzofuran-2-carbonyl)-hydrazonomethyl]-pyrrol-1-yl}-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.