2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one
TL;DR: 2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one (CAS 129302-13-2) is a chemical compound with molecular formula C14H13ClN2O3 and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one
Also Known As: (2Z)-1-[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-3-hydroxybut-2-en-1-one, 1-[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-3-hydroxy-2-buten-1-one, 2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-en-1-yl)-5-methyl-2,3-dihydro-1H-pyrazol-3-one, 2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one
| Molecular Formula | C14H13ClN2O3 |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 2.61532 |
| Topological Polar Surface Area | 75.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.06146 |
| Heavy Atoms | 20 |
| Complexity | 738.7698 |
Chemical Identifiers
| CAS Number | 129302-13-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C(=CC(=O)C)O |
Product Overview
2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one (CAS 129302-13-2), with molecular formula C14H13ClN2O3 and molecular weight 292.06 g/mol. IUPAC: 2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of 2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one
Property Insights of 2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one
The XLogP value of 2.61532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one. The TPSA of 75.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one 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-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one?
The CAS number of 2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one is 129302-13-2.
What is the molecular formula of 2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one?
The molecular formula of 2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one is C14H13ClN2O3.
What is the molecular weight of 2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one?
The molecular weight of 2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one is 292.06 g/mol.
Where can I buy 2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one?
You can request a quote for 2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.