(4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
TL;DR: (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one (CAS 1164482-29-4) is a chemical compound with molecular formula C15H11BrN2OS and molecular weight 345.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
Also Known As: BAS 00284549, (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one, 2-(4-Bromo-phenyl)-5-methyl-4-thiophen-2-ylmethylene-2,4-dihydro-pyrazol-3-one, A0324/0014834, 2-(4-bromophenyl)-5-methyl-4-(2-thienylmethylene)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C15H11BrN2OS |
|---|---|
| Molecular Weight | 345.98 g/mol |
| LogP | 4.3167 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.97754 |
| Heavy Atoms | 20 |
| Complexity | 701.98456 |
Chemical Identifiers
| CAS Number | 1164482-29-4 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CC=CS2)C3=CC=C(C=C3)Br |
Product Overview
(4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one (CAS 1164482-29-4), with molecular formula C15H11BrN2OS and molecular weight 345.98 g/mol. IUPAC: (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one.
Chemical Property Profile of (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
Property Insights of (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
The XLogP value of 4.3167 indicates that (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-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, (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-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 (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
The CAS number of (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one is 1164482-29-4.
What is the molecular formula of (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
The molecular formula of (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one is C15H11BrN2OS.
What is the molecular weight of (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
The molecular weight of (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one is 345.98 g/mol.
Where can I buy (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
You can request a quote for (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)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 (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.