BAS 02054591
TL;DR: BAS 02054591 (CAS 338426-19-0) is a chemical compound with molecular formula C18H15F3N4OS and molecular weight 392.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: BAS 02054591, 2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 2-((5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide, 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 2-[(5-METHYL-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N~1~-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
| Molecular Formula | C18H15F3N4OS |
|---|---|
| Molecular Weight | 392.09 g/mol |
| LogP | 4.32532 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.09186 |
| Heavy Atoms | 27 |
| Complexity | 941.27985 |
Chemical Identifiers
| CAS Number | 338426-19-0 |
|---|---|
| SMILES | CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3C(F)(F)F |
Product Overview
BAS 02054591 (CAS 338426-19-0), with molecular formula C18H15F3N4OS and molecular weight 392.09 g/mol. IUPAC: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of BAS 02054591
Property Insights of BAS 02054591
The XLogP value of 4.32532 indicates that BAS 02054591 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, BAS 02054591 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02054591 has 1 hydrogen bond donor(s) and 4 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 02054591?
The CAS number of BAS 02054591 is 338426-19-0.
What is the molecular formula of BAS 02054591?
The molecular formula of BAS 02054591 is C18H15F3N4OS.
What is the molecular weight of BAS 02054591?
The molecular weight of BAS 02054591 is 392.09 g/mol.
Where can I buy BAS 02054591?
You can request a quote for BAS 02054591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02054591?
Yes, KEHONG BIO provides custom synthesis services for BAS 02054591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.