BAS 02069886
TL;DR: BAS 02069886 (CAS 493003-54-6) is a chemical compound with molecular formula C21H16N6O3S and molecular weight 432.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-nitrophenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 02069886, N-(2-nitrophenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2-nitrophenyl)-2-(4-phenyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))acetamide, N-(2-nitrophenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2-nitrophenyl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C21H16N6O3S |
|---|---|
| Molecular Weight | 432.10 g/mol |
| LogP | 3.9683 |
| Topological Polar Surface Area | 115.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.10046 |
| Heavy Atoms | 31 |
| Complexity | 1214.2893 |
Chemical Identifiers
| CAS Number | 493003-54-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C4=CN=CC=C4 |
Product Overview
BAS 02069886 (CAS 493003-54-6), with molecular formula C21H16N6O3S and molecular weight 432.10 g/mol. IUPAC: N-(2-nitrophenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 02069886
Property Insights of BAS 02069886
The XLogP value of 3.9683 indicates that BAS 02069886 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02069886. Following Lipinski's Rule of Five, BAS 02069886 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
Frequently Asked Questions
What is the CAS number of BAS 02069886?
The CAS number of BAS 02069886 is 493003-54-6.
What is the molecular formula of BAS 02069886?
The molecular formula of BAS 02069886 is C21H16N6O3S.
What is the molecular weight of BAS 02069886?
The molecular weight of BAS 02069886 is 432.10 g/mol.
Where can I buy BAS 02069886?
You can request a quote for BAS 02069886 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02069886?
Yes, KEHONG BIO provides custom synthesis services for BAS 02069886 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.