BAS 00387962
TL;DR: BAS 00387962 (CAS 469889-38-1) is a chemical compound with molecular formula C19H14N6O3S and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[(3-nitrophenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrazol-3-one
Also Known As: BAS 00387962, AF-886/31106025, 5-methyl-4-[(3-nitrophenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrazol-3-one, 4-({3-nitrophenyl}diazenyl)-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one, (E)-3-methyl-4-((3-nitrophenyl)diazenyl)-1-(4-phenylthiazol-2-yl)-1H-pyrazol-5(4H)-one
| Molecular Formula | C19H14N6O3S |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 4.5933 |
| Topological Polar Surface Area | 113.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.0848 |
| Heavy Atoms | 29 |
| Complexity | 1141.611 |
Chemical Identifiers
| CAS Number | 469889-38-1 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)[N+](=O)[O-])C3=NC(=CS3)C4=CC=CC=C4 |
Product Overview
BAS 00387962 (CAS 469889-38-1), with molecular formula C19H14N6O3S and molecular weight 406.08 g/mol. IUPAC: 5-methyl-4-[(3-nitrophenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrazol-3-one.
Chemical Property Profile of BAS 00387962
Property Insights of BAS 00387962
The XLogP value of 4.5933 indicates that BAS 00387962 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.42 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00387962. Following Lipinski's Rule of Five, BAS 00387962 has 0 hydrogen bond donor(s) and 8 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 00387962?
The CAS number of BAS 00387962 is 469889-38-1.
What is the molecular formula of BAS 00387962?
The molecular formula of BAS 00387962 is C19H14N6O3S.
What is the molecular weight of BAS 00387962?
The molecular weight of BAS 00387962 is 406.08 g/mol.
Where can I buy BAS 00387962?
You can request a quote for BAS 00387962 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00387962?
Yes, KEHONG BIO provides custom synthesis services for BAS 00387962 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.