![2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone structure](/static/products/727/727711-90-2.png)
2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
TL;DR: 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone (CAS 727711-90-2) is a chemical compound with molecular formula C22H15Cl2N3OS and molecular weight 439.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: 2-[4,5-bis(4-chlorophenyl)(1,2,4-triazol-3-ylthio)]-1-phenylethan-1-one, 2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone, 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone, 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone, 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
| Molecular Formula | C22H15Cl2N3OS |
|---|---|
| Molecular Weight | 439.03 g/mol |
| LogP | 6.2161 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.03128 |
| Heavy Atoms | 29 |
| Complexity | 1127.2034 |
Chemical Identifiers
| CAS Number | 727711-90-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl |
Product Overview
2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone (CAS 727711-90-2), with molecular formula C22H15Cl2N3OS and molecular weight 439.03 g/mol. IUPAC: 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Property Insights of 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
The XLogP value of 6.2161 indicates that 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone has 0 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 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
The CAS number of 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone is 727711-90-2.
What is the molecular formula of 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
The molecular formula of 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone is C22H15Cl2N3OS.
What is the molecular weight of 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
The molecular weight of 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone is 439.03 g/mol.
Where can I buy 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
You can request a quote for 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.