![4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/338/338989-00-7.png)
4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 338989-00-7) is a chemical compound with molecular formula C16H13ClN4O and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-chloro-2-pyridinyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: 4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-5-methyl-2-phenylpyrazol-3-one, (4Z)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-5-methyl-2-phenylpyrazol-3-one, (E)-4-(((5-chloropyridin-2-yl)amino)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one, 4-[[(5-chloropyridin-2-yl)amino]methylidene]-5-methyl-2-phenylpyrazol-3-one
| Molecular Formula | C16H13ClN4O |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 3.27302 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.0778 |
| Heavy Atoms | 22 |
| Complexity | 863.4115 |
Chemical Identifiers
| CAS Number | 338989-00-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC3=NC=C(C=C3)Cl |
Product Overview
4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 338989-00-7), with molecular formula C16H13ClN4O and molecular weight 312.08 g/mol. IUPAC: 4-[(5-chloro-2-pyridinyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 3.27302 indicates that 4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one has 1 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 4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is 338989-00-7.
What is the molecular formula of 4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is C16H13ClN4O.
What is the molecular weight of 4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is 312.08 g/mol.
Where can I buy 4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-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 4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(5-chloro-2-pyridinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.