![4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one structure](/static/products/1164/1164561-76-5.webp)
4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 1164561-76-5) is a chemical compound with molecular formula C25H28N4O2S and molecular weight 448.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: 4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, (Z)-4-((3-(tert-butyl)-4-(4-methoxyphenyl)thiazol-2(3H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, 4-[[3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-[3-tert-Butyl-4-(4-methoxy-phenyl)-3H-thiazol-(2Z)-ylideneamino]-1,5-dimethyl-2-phenyl-1,2-dihydro-p yrazol-3-one, 4-[((2Z)-3-TERT-BUTYL-4-(4-METHOXYPHENYL)-1,3-THIAZOL-2(3H)-YLIDENE)AMINO]-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
| Molecular Formula | C25H28N4O2S |
|---|---|
| Molecular Weight | 448.19 g/mol |
| LogP | 5.01042 |
| Topological Polar Surface Area | 53.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.1933 |
| Heavy Atoms | 32 |
| Complexity | 1364.8008 |
Chemical Identifiers
| CAS Number | 1164561-76-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC=C(C=C4)OC)C(C)(C)C |
Product Overview
4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 1164561-76-5), with molecular formula C25H28N4O2S and molecular weight 448.19 g/mol. IUPAC: 4-[[3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 5.01042 indicates that 4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-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. With a topological polar surface area (TPSA) of 53.45 Ų, 4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is 1164561-76-5.
What is the molecular formula of 4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is C25H28N4O2S.
What is the molecular weight of 4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is 448.19 g/mol.
Where can I buy 4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-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-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-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.