BAS 00488777
TL;DR: BAS 00488777 (CAS 314761-83-6) 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-[(2-methoxyphenyl)diazenyl]-5-(4-nitrophenyl)-2-phenyl-1H-pyrazol-3-one
Also Known As: BAS 00488777, 4-[(2-methoxyphenyl)hydrazono]-5-(4-nitrophenyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-4-[2-(2-methoxyphenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-4-[(2-methoxyphenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-phenylpyrazol-3-one, (4Z)-4-[(2-methoxyphenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-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 | 1307.9932 |
Chemical Identifiers
| CAS Number | 314761-83-6 |
|---|---|
| SMILES | COC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 00488777 (CAS 314761-83-6), with molecular formula C22H17N5O4 and molecular weight 415.13 g/mol. IUPAC: 4-[(2-methoxyphenyl)diazenyl]-5-(4-nitrophenyl)-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of BAS 00488777
Property Insights of BAS 00488777
The XLogP value of 5.1648 indicates that BAS 00488777 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 00488777. Following Lipinski's Rule of Five, BAS 00488777 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 00488777?
The CAS number of BAS 00488777 is 314761-83-6.
What is the molecular formula of BAS 00488777?
The molecular formula of BAS 00488777 is C22H17N5O4.
What is the molecular weight of BAS 00488777?
The molecular weight of BAS 00488777 is 415.13 g/mol.
Where can I buy BAS 00488777?
You can request a quote for BAS 00488777 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00488777?
Yes, KEHONG BIO provides custom synthesis services for BAS 00488777 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.