7M-559S
TL;DR: 7M-559S (CAS 478066-93-2) is a chemical compound with molecular formula C34H33FN4OS and molecular weight 564.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylethyl]-4-fluorobenzamide
Also Known As: 7M-559S, N-[1-(5-{[4-(tert-butyl)benzyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)-2-phenylethyl]-4-fluorobenzenecarboxamide, N-[1-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)-2-phenylethyl]-4-fluorobenzamide, N-[1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylethyl]-4-fluorobenzamide, N-[1-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-phenyl-1,2,4-triazol-3-yl)-2-phenylethyl]-4-fluorobenzamide
| Molecular Formula | C34H33FN4OS |
|---|---|
| Molecular Weight | 564.24 g/mol |
| LogP | 7.71 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 564.2359 |
| Heavy Atoms | 41 |
| Complexity | 1578.6265 |
Chemical Identifiers
| CAS Number | 478066-93-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C(CC4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)F |
Product Overview
7M-559S (CAS 478066-93-2), with molecular formula C34H33FN4OS and molecular weight 564.24 g/mol. IUPAC: N-[1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylethyl]-4-fluorobenzamide.
Chemical Property Profile of 7M-559S
Property Insights of 7M-559S
The XLogP value of 7.71 indicates that 7M-559S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 7M-559S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7M-559S has 1 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 7M-559S?
The CAS number of 7M-559S is 478066-93-2.
What is the molecular formula of 7M-559S?
The molecular formula of 7M-559S is C34H33FN4OS.
What is the molecular weight of 7M-559S?
The molecular weight of 7M-559S is 564.24 g/mol.
Where can I buy 7M-559S?
You can request a quote for 7M-559S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7M-559S?
Yes, KEHONG BIO provides custom synthesis services for 7M-559S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.