BAS 02054368
TL;DR: BAS 02054368 (CAS 113518-51-7) is a chemical compound with molecular formula C21H16N6O3S and molecular weight 432.10046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-nitrophenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 02054368, Acetamide, N-(2-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)-, N-(2-Nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)acetamide, Acetamide, N-(2-nitrophenyl)-2-((4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl)thio)-, Acetamide,N-(2-nitrophenyl)-2-[[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-
Technical Specifications
| Molecular Formula | C21H16N6O3S |
| Molecular Weight | 432.10046 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.10046 Da |
| Heavy Atoms | 31 |
| Complexity | 608.0 |
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C4=CC=NC=C4 |
| InChIKey | ACODQRNBMSPJHN-UHFFFAOYSA-N |
Chemical Property Profile of BAS 02054368
Property Insights of BAS 02054368
The XLogP value of 3.8 indicates that BAS 02054368 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting BAS 02054368 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 02054368 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BAS 02054368?
The CAS number of BAS 02054368 is 113518-51-7.
What is the molecular formula of BAS 02054368?
The molecular formula of BAS 02054368 is C21H16N6O3S.
What is the molecular weight of BAS 02054368?
The molecular weight of BAS 02054368 is 432.10046 g/mol.
Where can I buy BAS 02054368?
You can request a quote for BAS 02054368 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 02054368?
Yes, CoreyChem provides custom synthesis services for BAS 02054368 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.