BAS 00285131
TL;DR: BAS 00285131 (CAS 420095-22-3) is a chemical compound with molecular formula C29H24BrFN4O3 and molecular weight 574.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
Also Known As: BAS 00285131, AE-848/08583029, 4-bromo-N-[(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide, 4-bromo-N-[2-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1-(4-morpholinylcarbonyl)vinyl]benzamide, (4-bromophenyl)-N-(1-{[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylene}-2-mo rpholin-4-yl-2-oxoethyl)carboxamide
| Molecular Formula | C29H24BrFN4O3 |
|---|---|
| Molecular Weight | 574.10 g/mol |
| LogP | 5.0706 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 574.10156 |
| Heavy Atoms | 38 |
| Complexity | 1462.2163 |
Chemical Identifiers
| CAS Number | 420095-22-3 |
|---|---|
| SMILES | C1COCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)/NC(=O)C5=CC=C(C=C5)Br |
Product Overview
BAS 00285131 (CAS 420095-22-3), with molecular formula C29H24BrFN4O3 and molecular weight 574.10 g/mol. IUPAC: 4-bromo-N-[(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide.
Chemical Property Profile of BAS 00285131
Property Insights of BAS 00285131
The XLogP value of 5.0706 indicates that BAS 00285131 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00285131. Following Lipinski's Rule of Five, BAS 00285131 has 1 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 BAS 00285131?
The CAS number of BAS 00285131 is 420095-22-3.
What is the molecular formula of BAS 00285131?
The molecular formula of BAS 00285131 is C29H24BrFN4O3.
What is the molecular weight of BAS 00285131?
The molecular weight of BAS 00285131 is 574.10 g/mol.
Where can I buy BAS 00285131?
You can request a quote for BAS 00285131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00285131?
Yes, KEHONG BIO provides custom synthesis services for BAS 00285131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.