BAS 00598998
TL;DR: BAS 00598998 (CAS 296265-46-8) is a chemical compound with molecular formula C25H19BrN2O and molecular weight 442.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]-5-methyl-2-phenylpyrazol-3-one
Also Known As: BAS 00598998, (4Z)-4-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]-5-methyl-2-phenylpyrazol-3-one, (Z)-4-((E)-3-(4-bromophenyl)-1-phenylallylidene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one, (4Z)-4-[(2E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-ylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, 4-[(2E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]-3-methyl-1-phenyl-1,2-diaz olin-5-one
| Molecular Formula | C25H19BrN2O |
|---|---|
| Molecular Weight | 442.07 g/mol |
| LogP | 6.3388 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.06808 |
| Heavy Atoms | 29 |
| Complexity | 1114.5045 |
Chemical Identifiers
| CAS Number | 296265-46-8 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C(/C=C/C2=CC=C(C=C2)Br)\C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
BAS 00598998 (CAS 296265-46-8), with molecular formula C25H19BrN2O and molecular weight 442.07 g/mol. IUPAC: (4Z)-4-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]-5-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00598998
Property Insights of BAS 00598998
The XLogP value of 6.3388 indicates that BAS 00598998 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, BAS 00598998 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00598998 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00598998?
The CAS number of BAS 00598998 is 296265-46-8.
What is the molecular formula of BAS 00598998?
The molecular formula of BAS 00598998 is C25H19BrN2O.
What is the molecular weight of BAS 00598998?
The molecular weight of BAS 00598998 is 442.07 g/mol.
Where can I buy BAS 00598998?
You can request a quote for BAS 00598998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00598998?
Yes, KEHONG BIO provides custom synthesis services for BAS 00598998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.