BAS 00477700
TL;DR: BAS 00477700 (CAS 314759-86-9) is a chemical compound with molecular formula C16H12N6O3S and molecular weight 368.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-nitrophenyl)diazenyl]-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide
Also Known As: BAS 00477700, AN-329/40210025, 4-({2-nitrophenyl}hydrazono)-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, 4-[(2-nitrophenyl)diazenyl]-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide, 4-[(2-nitrophenyl)hydrazinylidene]-5-oxo-3-phenylpyrazole-1-carbothioamide
| Molecular Formula | C16H12N6O3S |
|---|---|
| Molecular Weight | 368.07 g/mol |
| LogP | 3.2587 |
| Topological Polar Surface Area | 131.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.06915 |
| Heavy Atoms | 26 |
| Complexity | 1071.0892 |
Chemical Identifiers
| CAS Number | 314759-86-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)N(N2)C(=S)N)N=NC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
BAS 00477700 (CAS 314759-86-9), with molecular formula C16H12N6O3S and molecular weight 368.07 g/mol. IUPAC: 4-[(2-nitrophenyl)diazenyl]-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of BAS 00477700
Property Insights of BAS 00477700
The XLogP value of 3.2587 indicates that BAS 00477700 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.67 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00477700. Following Lipinski's Rule of Five, BAS 00477700 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00477700?
The CAS number of BAS 00477700 is 314759-86-9.
What is the molecular formula of BAS 00477700?
The molecular formula of BAS 00477700 is C16H12N6O3S.
What is the molecular weight of BAS 00477700?
The molecular weight of BAS 00477700 is 368.07 g/mol.
Where can I buy BAS 00477700?
You can request a quote for BAS 00477700 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00477700?
Yes, KEHONG BIO provides custom synthesis services for BAS 00477700 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.