4-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 4-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 352656-50-9) is a chemical compound with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-4-[5-methyl-2-(4-nitroanilino)-1,3-thiazol-4-yl]-2-phenylpyrazol-3-one
Also Known As: 4-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, AJ-131/33284038, 1,5-dimethyl-4-[5-methyl-2-(4-nitroanilino)-1,3-thiazol-4-yl]-2-phenylpyrazol-3-one
| Molecular Formula | C21H19N5O3S |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 4.56814 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.12085 |
| Heavy Atoms | 30 |
| Complexity | 1286.9258 |
Chemical Identifiers
| CAS Number | 352656-50-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(SC(=N3)NC4=CC=C(C=C4)[N+](=O)[O-])C |
Product Overview
4-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 352656-50-9), with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol. IUPAC: 1,5-dimethyl-4-[5-methyl-2-(4-nitroanilino)-1,3-thiazol-4-yl]-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 4-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 4.56814 indicates that 4-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one has 1 hydrogen bond donor(s) and 6 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-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 4-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is 352656-50-9.
What is the molecular formula of 4-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is C21H19N5O3S.
What is the molecular weight of 4-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is 421.12 g/mol.
Where can I buy 4-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-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-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-{4-nitroanilino}-5-methyl-1,3-thiazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.