1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-
TL;DR: 1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)- (CAS 87100-95-6) 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-chloro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)butane-1,3-dione
Also Known As: 1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-, 2-Chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)butane-1,3-dione, 1, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-, 2-chloro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)butane-1, 2-Chloro-1-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione
| Molecular Formula | C14H13ClN2O3 |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.06146 |
| Heavy Atoms | 20 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 87100-95-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C(C(=O)C)Cl |
| InChIKey | GONPYUBKJWNWKB-UHFFFAOYSA-N |
Product Overview
1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)- (CAS 87100-95-6), with molecular formula C14H13ClN2O3 and molecular weight 292.06 g/mol. IUPAC: 2-chloro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)butane-1,3-dione.
Chemical Property Profile of 1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-
Property Insights of 1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-. Following Lipinski's Rule of Five, 1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)- has 1 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 1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-?
The CAS number of 1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)- is 87100-95-6.
What is the molecular formula of 1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-?
The molecular formula of 1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)- is C14H13ClN2O3.
What is the molecular weight of 1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-?
The molecular weight of 1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)- is 292.06 g/mol.
Where can I buy 1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-?
You can request a quote for 1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.