BAS 00488798
TL;DR: BAS 00488798 (CAS 314761-15-4) is a chemical compound with molecular formula C21H12Cl2N6O5 and molecular weight 498.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-5-(4-nitrophenyl)-2-phenyl-1H-pyrazol-3-one
Also Known As: BAS 00488798, (4Z)-4-[2-(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-5-(4-nitrophenyl)-2-phenyl-1H-pyrazol-3-one, 4-[(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-phenylpyrazol-3-one, (4E)-4-[(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-phenylpyrazol-3-one
| Molecular Formula | C21H12Cl2N6O5 |
|---|---|
| Molecular Weight | 498.02 g/mol |
| LogP | 6.3712 |
| Topological Polar Surface Area | 148.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.02463 |
| Heavy Atoms | 34 |
| Complexity | 1473.5754 |
Chemical Identifiers
| CAS Number | 314761-15-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])N=NC4=C(C=C(C=C4Cl)[N+](=O)[O-])Cl |
Product Overview
BAS 00488798 (CAS 314761-15-4), with molecular formula C21H12Cl2N6O5 and molecular weight 498.02 g/mol. IUPAC: 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-5-(4-nitrophenyl)-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of BAS 00488798
Property Insights of BAS 00488798
The XLogP value of 6.3712 indicates that BAS 00488798 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.79 Ų indicates high polarity, suggesting BAS 00488798 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00488798 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00488798?
The CAS number of BAS 00488798 is 314761-15-4.
What is the molecular formula of BAS 00488798?
The molecular formula of BAS 00488798 is C21H12Cl2N6O5.
What is the molecular weight of BAS 00488798?
The molecular weight of BAS 00488798 is 498.02 g/mol.
Where can I buy BAS 00488798?
You can request a quote for BAS 00488798 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00488798?
Yes, KEHONG BIO provides custom synthesis services for BAS 00488798 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.