5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-one
TL;DR: 5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-one (CAS 307953-06-6) is a chemical compound with molecular formula C25H24BrN3OS2 and molecular weight 525.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-one, (5Z)-5-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-hexyl-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C25H24BrN3OS2 |
|---|---|
| Molecular Weight | 525.05 g/mol |
| LogP | 7.0833 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 525.05444 |
| Heavy Atoms | 32 |
| Complexity | 1139.7535 |
Chemical Identifiers
| CAS Number | 307953-06-6 |
|---|---|
| SMILES | CCCCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4)/SC1=S |
Product Overview
5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-one (CAS 307953-06-6), with molecular formula C25H24BrN3OS2 and molecular weight 525.05 g/mol. IUPAC: (5Z)-5-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-one
Property Insights of 5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-one
The XLogP value of 7.0833 indicates that 5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, 5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-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 5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-one?
The CAS number of 5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-one is 307953-06-6.
What is the molecular formula of 5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-one?
The molecular formula of 5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-one is C25H24BrN3OS2.
What is the molecular weight of 5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-one?
The molecular weight of 5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-one is 525.05 g/mol.
Where can I buy 5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-one?
You can request a quote for 5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-hexyl-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.