3-(Tert-butyl)-1-phenyl-4-(3-thienylmethylene)-2-pyrazolin-5-one
TL;DR: 3-(Tert-butyl)-1-phenyl-4-(3-thienylmethylene)-2-pyrazolin-5-one (CAS 1025206-25-0) is a chemical compound with molecular formula C18H18N2OS and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-phenyl-4-(thiophen-3-ylmethylidene)pyrazol-3-one
Also Known As: 5-tert-butyl-2-phenyl-4-(3-thienylmethylene)pyrazol-3-one, 3-(TERT-BUTYL)-1-PHENYL-4-(3-THIENYLMETHYLENE)-2-PYRAZOLIN-5-ONE, 2-phenyl-5-tert-butyl-4-(thiophen-3-ylmethylidene)pyrazol-3-one, 5-tert-butyl-2-phenyl-4-(thiophen-3-ylmethylidene)pyrazol-3-one, 3-(tert-butyl)-1-phenyl-4-[(Z)-3-thienylmethylidene]-1H-pyrazol-5-one
| Molecular Formula | C18H18N2OS |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 4.5804 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.11398 |
| Heavy Atoms | 22 |
| Complexity | 737.1493 |
Chemical Identifiers
| CAS Number | 1025206-25-0 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=O)C1=CC2=CSC=C2)C3=CC=CC=C3 |
Product Overview
3-(Tert-butyl)-1-phenyl-4-(3-thienylmethylene)-2-pyrazolin-5-one (CAS 1025206-25-0), with molecular formula C18H18N2OS and molecular weight 310.11 g/mol. IUPAC: 5-tert-butyl-2-phenyl-4-(thiophen-3-ylmethylidene)pyrazol-3-one.
Chemical Property Profile of 3-(Tert-butyl)-1-phenyl-4-(3-thienylmethylene)-2-pyrazolin-5-one
Property Insights of 3-(Tert-butyl)-1-phenyl-4-(3-thienylmethylene)-2-pyrazolin-5-one
The XLogP value of 4.5804 indicates that 3-(Tert-butyl)-1-phenyl-4-(3-thienylmethylene)-2-pyrazolin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, 3-(Tert-butyl)-1-phenyl-4-(3-thienylmethylene)-2-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Tert-butyl)-1-phenyl-4-(3-thienylmethylene)-2-pyrazolin-5-one has 0 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 3-(Tert-butyl)-1-phenyl-4-(3-thienylmethylene)-2-pyrazolin-5-one?
The CAS number of 3-(Tert-butyl)-1-phenyl-4-(3-thienylmethylene)-2-pyrazolin-5-one is 1025206-25-0.
What is the molecular formula of 3-(Tert-butyl)-1-phenyl-4-(3-thienylmethylene)-2-pyrazolin-5-one?
The molecular formula of 3-(Tert-butyl)-1-phenyl-4-(3-thienylmethylene)-2-pyrazolin-5-one is C18H18N2OS.
What is the molecular weight of 3-(Tert-butyl)-1-phenyl-4-(3-thienylmethylene)-2-pyrazolin-5-one?
The molecular weight of 3-(Tert-butyl)-1-phenyl-4-(3-thienylmethylene)-2-pyrazolin-5-one is 310.11 g/mol.
Where can I buy 3-(Tert-butyl)-1-phenyl-4-(3-thienylmethylene)-2-pyrazolin-5-one?
You can request a quote for 3-(Tert-butyl)-1-phenyl-4-(3-thienylmethylene)-2-pyrazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Tert-butyl)-1-phenyl-4-(3-thienylmethylene)-2-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Tert-butyl)-1-phenyl-4-(3-thienylmethylene)-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.