BAS 02562539
TL;DR: BAS 02562539 (CAS 333409-09-9) is a chemical compound with molecular formula C21H18BrN5O2S and molecular weight 483.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4-methylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 02562539, N-(2-bromo-4-methylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-bromo-4-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2-bromo-4-methylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2-bromo-4-methylphenyl)-2-[4-(2-furylmethyl)-5-(4-pyridyl)(1,2,4-triazol-3- ylthio)]acetamide
| Molecular Formula | C21H18BrN5O2S |
|---|---|
| Molecular Weight | 483.04 g/mol |
| LogP | 4.78312 |
| Topological Polar Surface Area | 85.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.03647 |
| Heavy Atoms | 30 |
| Complexity | 1145.6853 |
Chemical Identifiers
| CAS Number | 333409-09-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4)Br |
Product Overview
BAS 02562539 (CAS 333409-09-9), with molecular formula C21H18BrN5O2S and molecular weight 483.04 g/mol. IUPAC: N-(2-bromo-4-methylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02562539
Property Insights of BAS 02562539
The XLogP value of 4.78312 indicates that BAS 02562539 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02562539. Following Lipinski's Rule of Five, BAS 02562539 has 1 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 02562539?
The CAS number of BAS 02562539 is 333409-09-9.
What is the molecular formula of BAS 02562539?
The molecular formula of BAS 02562539 is C21H18BrN5O2S.
What is the molecular weight of BAS 02562539?
The molecular weight of BAS 02562539 is 483.04 g/mol.
Where can I buy BAS 02562539?
You can request a quote for BAS 02562539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02562539?
Yes, KEHONG BIO provides custom synthesis services for BAS 02562539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.