![2-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo- structure](/static/products/6777/677706-69-3.webp)
2-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo-
TL;DR: 2-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo- (CAS 677706-69-3) is a chemical compound with molecular formula C8H8BrN3O3 and molecular weight 272.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-bromo-1-methylpyrazol-3-yl)amino]-4-oxobut-2-enoic acid
Also Known As: Maybridge3_001588, 4-[(4-bromo-1-methylpyrazol-3-yl)amino]-4-oxobut-2-enoic acid, 2-BUTENOIC ACID, 4-[(4-BROMO-1-METHYL-1H-PYRAZOL-3-YL)AMINO]-4-OXO-
| Molecular Formula | C8H8BrN3O3 |
|---|---|
| Molecular Weight | 272.97 g/mol |
| LogP | 0.7619 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.9749 |
| Heavy Atoms | 15 |
| Complexity | 424.76642 |
Chemical Identifiers
| CAS Number | 677706-69-3 |
|---|---|
| SMILES | CN1C=C(C(=N1)NC(=O)C=CC(=O)O)Br |
Product Overview
2-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo- (CAS 677706-69-3), with molecular formula C8H8BrN3O3 and molecular weight 272.97 g/mol. IUPAC: 4-[(4-bromo-1-methylpyrazol-3-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 2-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo-
Property Insights of 2-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo-
The XLogP value of 0.7619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo-. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo-. Following Lipinski's Rule of Five, 2-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo- has 2 hydrogen bond donor(s) and 3 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-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo-?
The CAS number of 2-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo- is 677706-69-3.
What is the molecular formula of 2-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo-?
The molecular formula of 2-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo- is C8H8BrN3O3.
What is the molecular weight of 2-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo-?
The molecular weight of 2-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo- is 272.97 g/mol.
Where can I buy 2-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo-?
You can request a quote for 2-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 4-[(4-bromo-1-methyl-1H-pyrazol-3-YL)amino]-4-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.