AN-988/40875273
TL;DR: AN-988/40875273 (CAS 497076-80-9) is a chemical compound with molecular formula C21H23N5OS and molecular weight 393.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: AN-988/40875273, 2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone, 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone, 1-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-4-phenylpiperazine, 2-((4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone
| Molecular Formula | C21H23N5OS |
|---|---|
| Molecular Weight | 393.16 g/mol |
| LogP | 2.923 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.16232 |
| Heavy Atoms | 28 |
| Complexity | 920.4837 |
Chemical Identifiers
| CAS Number | 497076-80-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
AN-988/40875273 (CAS 497076-80-9), with molecular formula C21H23N5OS and molecular weight 393.16 g/mol. IUPAC: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of AN-988/40875273
Property Insights of AN-988/40875273
The XLogP value of 2.923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-988/40875273. With a topological polar surface area (TPSA) of 54.26 Ų, AN-988/40875273 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-988/40875273 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-988/40875273?
The CAS number of AN-988/40875273 is 497076-80-9.
What is the molecular formula of AN-988/40875273?
The molecular formula of AN-988/40875273 is C21H23N5OS.
What is the molecular weight of AN-988/40875273?
The molecular weight of AN-988/40875273 is 393.16 g/mol.
Where can I buy AN-988/40875273?
You can request a quote for AN-988/40875273 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40875273?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40875273 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.