2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic Acid
TL;DR: 2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic Acid (CAS 1005552-97-5) is a chemical compound with molecular formula C10H9Br2ClN4O3 and molecular weight 425.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,4E)-2,3-dibromo-4-[(4-chloro-1-ethylpyrazole-5-carbonyl)hydrazinylidene]but-2-enoic acid
Also Known As: 2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic Acid, (2E,4E)-2,3-dibromo-4-(2-(4-chloro-1-ethyl-1H-pyrazole-5-carbonyl)hydrazono)but-2-enoic acid, (2E,4E)-2,3-dibromo-4-{2-[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]hydrazinylidene}but-2-enoic acid, (2E,4E)-2,3-dibromo-5-[(4-chloro-1-ethylpyrazol-5-yl)carbonylamino]-5-azapenta -2,4-dienoic acid
| Molecular Formula | C10H9Br2ClN4O3 |
|---|---|
| Molecular Weight | 425.87 g/mol |
| LogP | 2.358 |
| Topological Polar Surface Area | 96.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.873 |
| Heavy Atoms | 20 |
| Complexity | 597.32324 |
Chemical Identifiers
| CAS Number | 1005552-97-5 |
|---|---|
| SMILES | CCN1C(=C(C=N1)Cl)C(=O)N/N=C/C(=C(/C(=O)O)\Br)/Br |
Product Overview
2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic Acid (CAS 1005552-97-5), with molecular formula C10H9Br2ClN4O3 and molecular weight 425.87 g/mol. IUPAC: (E,4E)-2,3-dibromo-4-[(4-chloro-1-ethylpyrazole-5-carbonyl)hydrazinylidene]but-2-enoic acid.
Chemical Property Profile of 2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic Acid
Property Insights of 2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic Acid
The XLogP value of 2.358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic Acid. The TPSA of 96.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic Acid. Following Lipinski's Rule of Five, 2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic 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 2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic Acid?
The CAS number of 2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic Acid is 1005552-97-5.
What is the molecular formula of 2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic Acid?
The molecular formula of 2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic Acid is C10H9Br2ClN4O3.
What is the molecular weight of 2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic Acid?
The molecular weight of 2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic Acid is 425.87 g/mol.
Where can I buy 2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic Acid?
You can request a quote for 2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3-dibromo-4-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)hydrazinylidene]but-2-enoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.