7M-557S
TL;DR: 7M-557S (CAS 478066-91-0) is a chemical compound with molecular formula C30H24F2N4OS and molecular weight 526.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylethyl]benzamide
Also Known As: 7M-557S, 4-fluoro-N-(1-{5-[(4-fluorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}-2-phenylethyl)benzenecarboxamide, 4-fluoro-N-[1-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)-2-phenylethyl]benzamide, 4-fluoro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylethyl]benzamide
| Molecular Formula | C30H24F2N4OS |
|---|---|
| Molecular Weight | 526.16 g/mol |
| LogP | 6.5516 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 526.1639 |
| Heavy Atoms | 38 |
| Complexity | 1491.5984 |
Chemical Identifiers
| CAS Number | 478066-91-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)F)NC(=O)C5=CC=C(C=C5)F |
Product Overview
7M-557S (CAS 478066-91-0), with molecular formula C30H24F2N4OS and molecular weight 526.16 g/mol. IUPAC: 4-fluoro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylethyl]benzamide.
Chemical Property Profile of 7M-557S
Property Insights of 7M-557S
The XLogP value of 6.5516 indicates that 7M-557S 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-557S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7M-557S 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-557S?
The CAS number of 7M-557S is 478066-91-0.
What is the molecular formula of 7M-557S?
The molecular formula of 7M-557S is C30H24F2N4OS.
What is the molecular weight of 7M-557S?
The molecular weight of 7M-557S is 526.16 g/mol.
Where can I buy 7M-557S?
You can request a quote for 7M-557S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7M-557S?
Yes, KEHONG BIO provides custom synthesis services for 7M-557S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.