BAS 00477786
TL;DR: BAS 00477786 (CAS 332420-82-3) is a chemical compound with molecular formula C22H16N8O3S and molecular weight 472.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-nitrophenyl)-3-oxo-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-2-carbothioamide
Also Known As: BAS 00477786, (4E)-3-(4-nitrophenyl)-5-oxo-4-[(4-phenyldiazenylphenyl)hydrazinylidene]pyrazole-1-carbothioamide, (4Z)-3-(4-nitrophenyl)-5-oxo-4-(2-{4-[(Z)-phenyldiazenyl]phenyl}hydrazinylidene)-4,5-dihydro-1H-pyrazole-1-carbothioamide, (4Z)-3-(4-nitrophenyl)-5-oxo-4-[(4-phenyldiazenylphenyl)hydrazinylidene]pyrazole-1-carbothioamide, 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-3-(4-nitrophenyl)-5-oxo-4-[2-[4-(2-phenyldiazenyl)phenyl]hydrazinylidene]-
| Molecular Formula | C22H16N8O3S |
|---|---|
| Molecular Weight | 472.11 g/mol |
| LogP | 5.6741 |
| Topological Polar Surface Area | 156.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.1066 |
| Heavy Atoms | 34 |
| Complexity | 1457.033 |
Chemical Identifiers
| CAS Number | 332420-82-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(NN(C3=O)C(=S)N)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 00477786 (CAS 332420-82-3), with molecular formula C22H16N8O3S and molecular weight 472.11 g/mol. IUPAC: 5-(4-nitrophenyl)-3-oxo-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of BAS 00477786
Property Insights of BAS 00477786
The XLogP value of 5.6741 indicates that BAS 00477786 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.39 Ų indicates high polarity, suggesting BAS 00477786 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00477786 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00477786?
The CAS number of BAS 00477786 is 332420-82-3.
What is the molecular formula of BAS 00477786?
The molecular formula of BAS 00477786 is C22H16N8O3S.
What is the molecular weight of BAS 00477786?
The molecular weight of BAS 00477786 is 472.11 g/mol.
Where can I buy BAS 00477786?
You can request a quote for BAS 00477786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00477786?
Yes, KEHONG BIO provides custom synthesis services for BAS 00477786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.