BAS 02054511
TL;DR: BAS 02054511 (CAS 338425-73-3) is a chemical compound with molecular formula C16H14BrN5OS and molecular weight 403.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 02054511, N-(4-bromophenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-bromophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-bromophenyl)-2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))acetamide, N-(4-bromophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C16H14BrN5OS |
|---|---|
| Molecular Weight | 403.01 g/mol |
| LogP | 3.3704 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.01025 |
| Heavy Atoms | 24 |
| Complexity | 835.4339 |
Chemical Identifiers
| CAS Number | 338425-73-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3=CC=NC=C3 |
Product Overview
BAS 02054511 (CAS 338425-73-3), with molecular formula C16H14BrN5OS and molecular weight 403.01 g/mol. IUPAC: N-(4-bromophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 02054511
Property Insights of BAS 02054511
The XLogP value of 3.3704 indicates that BAS 02054511 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02054511. Following Lipinski's Rule of Five, BAS 02054511 has 1 hydrogen bond donor(s) and 5 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 02054511?
The CAS number of BAS 02054511 is 338425-73-3.
What is the molecular formula of BAS 02054511?
The molecular formula of BAS 02054511 is C16H14BrN5OS.
What is the molecular weight of BAS 02054511?
The molecular weight of BAS 02054511 is 403.01 g/mol.
Where can I buy BAS 02054511?
You can request a quote for BAS 02054511 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02054511?
Yes, KEHONG BIO provides custom synthesis services for BAS 02054511 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.