![2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione structure](/static/products/488/488804-64-4.png)
2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione
TL;DR: 2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione (CAS 488804-64-4) is a chemical compound with molecular formula C21H16ClN3O3 and molecular weight 393.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione
Also Known As: 2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione, 2-chloro-3-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)naphthalene-1,4-dione, 2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]naphthalene-1,4-dione
| Molecular Formula | C21H16ClN3O3 |
|---|---|
| Molecular Weight | 393.09 g/mol |
| LogP | 3.42592 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.088 |
| Heavy Atoms | 28 |
| Complexity | 1219.438 |
Chemical Identifiers
| CAS Number | 488804-64-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C(=O)C4=CC=CC=C4C3=O)Cl |
Product Overview
2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione (CAS 488804-64-4), with molecular formula C21H16ClN3O3 and molecular weight 393.09 g/mol. IUPAC: 2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione.
Chemical Property Profile of 2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione
Property Insights of 2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione
The XLogP value of 3.42592 indicates that 2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione. Following Lipinski's Rule of Five, 2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione 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-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione?
The CAS number of 2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione is 488804-64-4.
What is the molecular formula of 2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione?
The molecular formula of 2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione is C21H16ClN3O3.
What is the molecular weight of 2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione?
The molecular weight of 2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione is 393.09 g/mol.
Where can I buy 2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione?
You can request a quote for 2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.