4N-758
TL;DR: 4N-758 (CAS 478043-71-9) is a chemical compound with molecular formula C21H15F3N4S and molecular weight 412.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-phenylphenyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: 4N-758, 7-[1,1'-biphenyl]-4-yl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl 3,4,4-trifluoro-3-butenyl sulfide, 7-{[1,1'-biphenyl]-4-yl}-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine, 7-(4-phenylphenyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C21H15F3N4S |
|---|---|
| Molecular Weight | 412.10 g/mol |
| LogP | 6.0181 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.09695 |
| Heavy Atoms | 29 |
| Complexity | 1153.7485 |
Chemical Identifiers
| CAS Number | 478043-71-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=NC4=NC(=NN34)SCCC(=C(F)F)F |
Product Overview
4N-758 (CAS 478043-71-9), with molecular formula C21H15F3N4S and molecular weight 412.10 g/mol. IUPAC: 7-(4-phenylphenyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of 4N-758
Property Insights of 4N-758
The XLogP value of 6.0181 indicates that 4N-758 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, 4N-758 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4N-758 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4N-758?
The CAS number of 4N-758 is 478043-71-9.
What is the molecular formula of 4N-758?
The molecular formula of 4N-758 is C21H15F3N4S.
What is the molecular weight of 4N-758?
The molecular weight of 4N-758 is 412.10 g/mol.
Where can I buy 4N-758?
You can request a quote for 4N-758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4N-758?
Yes, KEHONG BIO provides custom synthesis services for 4N-758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.