BAS 00488860
TL;DR: BAS 00488860 (CAS 314758-45-7) is a chemical compound with molecular formula C21H14N6O5 and molecular weight 430.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-4-[(2-nitrophenyl)diazenyl]-5-phenyl-1H-pyrazol-3-one
Also Known As: BAS 00488860, 2-(4-nitrophenyl)-4-[(2-nitrophenyl)hydrazono]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(4-nitrophenyl)-4-[2-(2-nitrophenyl)hydrazinylidene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one, 2-(4-nitrophenyl)-4-[(2-nitrophenyl)diazenyl]-5-phenyl-1H-pyrazol-3-one, 2-(4-nitrophenyl)-4-[(2-nitrophenyl)hydrazinylidene]-5-phenylpyrazol-3-one
| Molecular Formula | C21H14N6O5 |
|---|---|
| Molecular Weight | 430.10 g/mol |
| LogP | 5.0644 |
| Topological Polar Surface Area | 148.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.10257 |
| Heavy Atoms | 32 |
| Complexity | 1390.4598 |
Chemical Identifiers
| CAS Number | 314758-45-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=C(C=C3)[N+](=O)[O-])N=NC4=CC=CC=C4[N+](=O)[O-] |
Product Overview
BAS 00488860 (CAS 314758-45-7), with molecular formula C21H14N6O5 and molecular weight 430.10 g/mol. IUPAC: 2-(4-nitrophenyl)-4-[(2-nitrophenyl)diazenyl]-5-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of BAS 00488860
Property Insights of BAS 00488860
The XLogP value of 5.0644 indicates that BAS 00488860 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.79 Ų indicates high polarity, suggesting BAS 00488860 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00488860 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 00488860?
The CAS number of BAS 00488860 is 314758-45-7.
What is the molecular formula of BAS 00488860?
The molecular formula of BAS 00488860 is C21H14N6O5.
What is the molecular weight of BAS 00488860?
The molecular weight of BAS 00488860 is 430.10 g/mol.
Where can I buy BAS 00488860?
You can request a quote for BAS 00488860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00488860?
Yes, KEHONG BIO provides custom synthesis services for BAS 00488860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.