F0508-5301
TL;DR: F0508-5301 (CAS 393564-72-2) is a chemical compound with molecular formula C22H16BrF3N4OS2 and molecular weight 551.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(4-bromophenyl)methylsulfanyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide
Also Known As: F0508-5301, N-((5-((4-bromobenzyl)thio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)thiophene-2-carboxamide, N-[(5-{[(4-bromophenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide, N-[[5-[(4-bromophenyl)methylsulfanyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide, N-({5-[(p-bromophenyl)methylthio]-4-[m-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)-2-thenamide
| Molecular Formula | C22H16BrF3N4OS2 |
|---|---|
| Molecular Weight | 551.99 g/mol |
| LogP | 6.3324 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 551.9901 |
| Heavy Atoms | 33 |
| Complexity | 1241.5219 |
Chemical Identifiers
| CAS Number | 393564-72-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)CNC(=O)C4=CC=CS4)C(F)(F)F |
Product Overview
F0508-5301 (CAS 393564-72-2), with molecular formula C22H16BrF3N4OS2 and molecular weight 551.99 g/mol. IUPAC: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide.
Chemical Property Profile of F0508-5301
Property Insights of F0508-5301
The XLogP value of 6.3324 indicates that F0508-5301 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, F0508-5301 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0508-5301 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0508-5301?
The CAS number of F0508-5301 is 393564-72-2.
What is the molecular formula of F0508-5301?
The molecular formula of F0508-5301 is C22H16BrF3N4OS2.
What is the molecular weight of F0508-5301?
The molecular weight of F0508-5301 is 551.99 g/mol.
Where can I buy F0508-5301?
You can request a quote for F0508-5301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0508-5301?
Yes, KEHONG BIO provides custom synthesis services for F0508-5301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.