AN-988/40875274
TL;DR: AN-988/40875274 (CAS 497224-92-7) is a chemical compound with molecular formula C30H33N5OS and molecular weight 511.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: AN-988/40875274, 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethanone, 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone, 2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone, 2-{[5-(4-TERT-BUTYLPHENYL)-4-PHENYL-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-PHENYLPIPERAZIN-1-YL)ETHANONE
| Molecular Formula | C30H33N5OS |
|---|---|
| Molecular Weight | 511.24 g/mol |
| LogP | 5.6727 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 511.24057 |
| Heavy Atoms | 37 |
| Complexity | 1322.1617 |
Chemical Identifiers
| CAS Number | 497224-92-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5 |
Product Overview
AN-988/40875274 (CAS 497224-92-7), with molecular formula C30H33N5OS and molecular weight 511.24 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of AN-988/40875274
Property Insights of AN-988/40875274
The XLogP value of 5.6727 indicates that AN-988/40875274 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.26 Ų, AN-988/40875274 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-988/40875274 has 0 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 AN-988/40875274?
The CAS number of AN-988/40875274 is 497224-92-7.
What is the molecular formula of AN-988/40875274?
The molecular formula of AN-988/40875274 is C30H33N5OS.
What is the molecular weight of AN-988/40875274?
The molecular weight of AN-988/40875274 is 511.24 g/mol.
Where can I buy AN-988/40875274?
You can request a quote for AN-988/40875274 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40875274?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40875274 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.