BAS 00488786
TL;DR: BAS 00488786 (CAS 314763-76-3) is a chemical compound with molecular formula C21H13Cl2N5O3 and molecular weight 453.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,6-dichlorophenyl)diazenyl]-5-(4-nitrophenyl)-2-phenyl-1H-pyrazol-3-one
Also Known As: BAS 00488786, 4-[(2,6-dichlorophenyl)hydrazono]-5-(4-nitrophenyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, 4-[(2,6-dichlorophenyl)diazenyl]-5-(4-nitrophenyl)-2-phenyl-1H-pyrazol-3-one, (4E)-4-[(2,6-dichlorophenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-phenylpyrazol-3-one, (4Z)-4-[(2,6-dichlorophenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-phenylpyrazol-3-one
| Molecular Formula | C21H13Cl2N5O3 |
|---|---|
| Molecular Weight | 453.04 g/mol |
| LogP | 6.463 |
| Topological Polar Surface Area | 105.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.03955 |
| Heavy Atoms | 31 |
| Complexity | 1325.6954 |
Chemical Identifiers
| CAS Number | 314763-76-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])N=NC4=C(C=CC=C4Cl)Cl |
Product Overview
BAS 00488786 (CAS 314763-76-3), with molecular formula C21H13Cl2N5O3 and molecular weight 453.04 g/mol. IUPAC: 4-[(2,6-dichlorophenyl)diazenyl]-5-(4-nitrophenyl)-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of BAS 00488786
Property Insights of BAS 00488786
The XLogP value of 6.463 indicates that BAS 00488786 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.65 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00488786. Following Lipinski's Rule of Five, BAS 00488786 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00488786?
The CAS number of BAS 00488786 is 314763-76-3.
What is the molecular formula of BAS 00488786?
The molecular formula of BAS 00488786 is C21H13Cl2N5O3.
What is the molecular weight of BAS 00488786?
The molecular weight of BAS 00488786 is 453.04 g/mol.
Where can I buy BAS 00488786?
You can request a quote for BAS 00488786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00488786?
Yes, KEHONG BIO provides custom synthesis services for BAS 00488786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.