2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid
TL;DR: 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid (CAS 540761-18-0) is a chemical compound with molecular formula C19H15ClN2O4 and molecular weight 370.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-chloro-2-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetic acid
Also Known As: 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid, 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetic acid, 2-(4-chloro-2-{[(4Z)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenoxy)acetic acid
| Molecular Formula | C19H15ClN2O4 |
|---|---|
| Molecular Weight | 370.07 g/mol |
| LogP | 3.6095 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.07202 |
| Heavy Atoms | 26 |
| Complexity | 922.3913 |
Chemical Identifiers
| CAS Number | 540761-18-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Cl)OCC(=O)O)C3=CC=CC=C3 |
Product Overview
2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid (CAS 540761-18-0), with molecular formula C19H15ClN2O4 and molecular weight 370.07 g/mol. IUPAC: 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetic acid.
Chemical Property Profile of 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid
Property Insights of 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid
The XLogP value of 3.6095 indicates that 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid. Following Lipinski's Rule of Five, 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid 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 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid?
The CAS number of 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid is 540761-18-0.
What is the molecular formula of 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid?
The molecular formula of 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid is C19H15ClN2O4.
What is the molecular weight of 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid?
The molecular weight of 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid is 370.07 g/mol.
Where can I buy 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid?
You can request a quote for 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-chloro-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.