BAS 02054390
TL;DR: BAS 02054390 (CAS 113518-56-2) is a chemical compound with molecular formula C24H23N5OS and molecular weight 429.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: BAS 02054390, Acetamide, 2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)-N-(2,4,6-trimethylphenyl)-, 2-((1-Phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)-N-(2,4,6-trimethylphenyl)acetamide, 2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide, 2-(4-phenyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2,4,6-trimethylphenyl)ac etamide
| Molecular Formula | C24H23N5OS |
|---|---|
| Molecular Weight | 429.16 g/mol |
| LogP | 4.98536 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.16232 |
| Heavy Atoms | 31 |
| Complexity | 1182.384 |
Chemical Identifiers
| CAS Number | 113518-56-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)C |
Product Overview
BAS 02054390 (CAS 113518-56-2), with molecular formula C24H23N5OS and molecular weight 429.16 g/mol. IUPAC: 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of BAS 02054390
Property Insights of BAS 02054390
The XLogP value of 4.98536 indicates that BAS 02054390 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 02054390. Following Lipinski's Rule of Five, BAS 02054390 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 02054390?
The CAS number of BAS 02054390 is 113518-56-2.
What is the molecular formula of BAS 02054390?
The molecular formula of BAS 02054390 is C24H23N5OS.
What is the molecular weight of BAS 02054390?
The molecular weight of BAS 02054390 is 429.16 g/mol.
Where can I buy BAS 02054390?
You can request a quote for BAS 02054390 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02054390?
Yes, KEHONG BIO provides custom synthesis services for BAS 02054390 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.