BAS 00284623
TL;DR: BAS 00284623 (CAS 2316-05-4) is a chemical compound with molecular formula C29H27BrN4O2 and molecular weight 542.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-bromophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: BAS 00284623, J1.791.231C, 4-[(4-bromophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-[(4-bromophenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4,4 -(4-Bromobenzylidene)bis[1,5-dimethyl-2-phenyl-1H-pyrazole-3(2H)-one]
| Molecular Formula | C29H27BrN4O2 |
|---|---|
| Molecular Weight | 542.13 g/mol |
| LogP | 5.22494 |
| Topological Polar Surface Area | 53.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 542.1317 |
| Heavy Atoms | 36 |
| Complexity | 1553.5077 |
Chemical Identifiers
| CAS Number | 2316-05-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)Br)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C |
Product Overview
BAS 00284623 (CAS 2316-05-4), with molecular formula C29H27BrN4O2 and molecular weight 542.13 g/mol. IUPAC: 4-[(4-bromophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00284623
Property Insights of BAS 00284623
The XLogP value of 5.22494 indicates that BAS 00284623 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.86 Ų, BAS 00284623 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00284623 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 00284623?
The CAS number of BAS 00284623 is 2316-05-4.
What is the molecular formula of BAS 00284623?
The molecular formula of BAS 00284623 is C29H27BrN4O2.
What is the molecular weight of BAS 00284623?
The molecular weight of BAS 00284623 is 542.13 g/mol.
Where can I buy BAS 00284623?
You can request a quote for BAS 00284623 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00284623?
Yes, KEHONG BIO provides custom synthesis services for BAS 00284623 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.