5M-532S
TL;DR: 5M-532S (CAS 338962-49-5) is a chemical compound with molecular formula C17H15FN4OS and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide
Also Known As: 5M-532S, 4-fluoro-N-{[5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzenecarboxamide, 4-fluoro-N-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide, 4-fluoro-N-{[5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
| Molecular Formula | C17H15FN4OS |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 3.0583 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.09506 |
| Heavy Atoms | 24 |
| Complexity | 833.5567 |
Chemical Identifiers
| CAS Number | 338962-49-5 |
|---|---|
| SMILES | CSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)F |
Product Overview
5M-532S (CAS 338962-49-5), with molecular formula C17H15FN4OS and molecular weight 342.10 g/mol. IUPAC: 4-fluoro-N-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide.
Chemical Property Profile of 5M-532S
Property Insights of 5M-532S
The XLogP value of 3.0583 indicates that 5M-532S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 5M-532S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5M-532S 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 5M-532S?
The CAS number of 5M-532S is 338962-49-5.
What is the molecular formula of 5M-532S?
The molecular formula of 5M-532S is C17H15FN4OS.
What is the molecular weight of 5M-532S?
The molecular weight of 5M-532S is 342.10 g/mol.
Where can I buy 5M-532S?
You can request a quote for 5M-532S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5M-532S?
Yes, KEHONG BIO provides custom synthesis services for 5M-532S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.