![2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone structure](/static/products/4942/494200-99-6.webp)
2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
TL;DR: 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone (CAS 494200-99-6) is a chemical compound with molecular formula C22H17ClFN3O2S2 and molecular weight 473.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
Also Known As: 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone, 2-((4-allyl-5-(3-chloro-6-methoxybenzo[b]thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone, 2-[[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone, 2-[5-(3-chloro-6-methoxybenzo[b]thiophen-2-yl)-4-prop-2-enyl(1,2,4-triazol-3-y lthio)]-1-(4-fluorophenyl)ethan-1-one
| Molecular Formula | C22H17ClFN3O2S2 |
|---|---|
| Molecular Weight | 473.04 g/mol |
| LogP | 6.1219 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.0435 |
| Heavy Atoms | 31 |
| Complexity | 1267.9908 |
Chemical Identifiers
| CAS Number | 494200-99-6 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=C(S2)C3=NN=C(N3CC=C)SCC(=O)C4=CC=C(C=C4)F)Cl |
Product Overview
2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone (CAS 494200-99-6), with molecular formula C22H17ClFN3O2S2 and molecular weight 473.04 g/mol. IUPAC: 2-[[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
Property Insights of 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
The XLogP value of 6.1219 indicates that 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone?
The CAS number of 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone is 494200-99-6.
What is the molecular formula of 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone?
The molecular formula of 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone is C22H17ClFN3O2S2.
What is the molecular weight of 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone?
The molecular weight of 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone is 473.04 g/mol.
Where can I buy 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone?
You can request a quote for 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.