![1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone structure](/static/products/848/848992-03-0.png)
1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
TL;DR: 1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone (CAS 848992-03-0) is a chemical compound with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-2-[[5-[(4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone, 1-(4-methoxyphenyl)-2-[[5-[(4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-methoxyphenyl)-2-{[5-(4-methylphenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one, 1-(4-methoxyphenyl)-2-{5-[(4-methylphenoxy)methyl]-4-prop-2-enyl(1,2,4-triazol -3-ylthio)}ethan-1-one, 2-((4-allyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone
| Molecular Formula | C22H23N3O3S |
|---|---|
| Molecular Weight | 409.15 g/mol |
| LogP | 4.33512 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 409.14603 |
| Heavy Atoms | 29 |
| Complexity | 965.9725 |
Chemical Identifiers
| CAS Number | 848992-03-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)OC |
Product Overview
1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone (CAS 848992-03-0), with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol. IUPAC: 1-(4-methoxyphenyl)-2-[[5-[(4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Property Insights of 1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
The XLogP value of 4.33512 indicates that 1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone. Following Lipinski's Rule of Five, 1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone has 0 hydrogen bond donor(s) and 6 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 1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone?
The CAS number of 1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone is 848992-03-0.
What is the molecular formula of 1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone?
The molecular formula of 1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone is C22H23N3O3S.
What is the molecular weight of 1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone?
The molecular weight of 1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone is 409.15 g/mol.
Where can I buy 1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone?
You can request a quote for 1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.