AN-698/41886674
TL;DR: AN-698/41886674 (CAS 662155-72-8) is a chemical compound with molecular formula C21H22ClN5OS and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: AN-698/41886674, 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone, 2-{[5-(2-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethanone, 2-{[5-(2-CHLOROPHENYL)-4-METHYL-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-PHENYLPIPERAZIN-1-YL)ETHANONE, 5-(2-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl 2-oxo-2-(4-phenyl-1-piperazinyl)ethyl sulfide
| Molecular Formula | C21H22ClN5OS |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 3.5764 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.12335 |
| Heavy Atoms | 29 |
| Complexity | 985.74634 |
Chemical Identifiers
| CAS Number | 662155-72-8 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4Cl |
Product Overview
AN-698/41886674 (CAS 662155-72-8), with molecular formula C21H22ClN5OS and molecular weight 427.12 g/mol. IUPAC: 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of AN-698/41886674
Property Insights of AN-698/41886674
The XLogP value of 3.5764 indicates that AN-698/41886674 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-698/41886674 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-698/41886674 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-698/41886674?
The CAS number of AN-698/41886674 is 662155-72-8.
What is the molecular formula of AN-698/41886674?
The molecular formula of AN-698/41886674 is C21H22ClN5OS.
What is the molecular weight of AN-698/41886674?
The molecular weight of AN-698/41886674 is 427.12 g/mol.
Where can I buy AN-698/41886674?
You can request a quote for AN-698/41886674 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/41886674?
Yes, KEHONG BIO provides custom synthesis services for AN-698/41886674 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.