BAS 00488844
TL;DR: BAS 00488844 (CAS 314758-90-2) is a chemical compound with molecular formula C22H17N5O4 and molecular weight 415.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methoxyphenyl)diazenyl]-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one
Also Known As: BAS 00488844, (4E)-4-[2-(4-methoxyphenyl)hydrazinylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one, 4-[(4-methoxyphenyl)hydrazono]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one, 4-[(4-methoxyphenyl)diazenyl]-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one, (4E)-4-[(4-methoxyphenyl)hydrazinylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one
| Molecular Formula | C22H17N5O4 |
|---|---|
| Molecular Weight | 415.13 g/mol |
| LogP | 5.1648 |
| Topological Polar Surface Area | 114.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.12805 |
| Heavy Atoms | 31 |
| Complexity | 1290.7432 |
Chemical Identifiers
| CAS Number | 314758-90-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N=NC2=C(NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
BAS 00488844 (CAS 314758-90-2), with molecular formula C22H17N5O4 and molecular weight 415.13 g/mol. IUPAC: 4-[(4-methoxyphenyl)diazenyl]-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of BAS 00488844
Property Insights of BAS 00488844
The XLogP value of 5.1648 indicates that BAS 00488844 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.88 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00488844. Following Lipinski's Rule of Five, BAS 00488844 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00488844?
The CAS number of BAS 00488844 is 314758-90-2.
What is the molecular formula of BAS 00488844?
The molecular formula of BAS 00488844 is C22H17N5O4.
What is the molecular weight of BAS 00488844?
The molecular weight of BAS 00488844 is 415.13 g/mol.
Where can I buy BAS 00488844?
You can request a quote for BAS 00488844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00488844?
Yes, KEHONG BIO provides custom synthesis services for BAS 00488844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.