![1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone structure](/static/products/100/1001596-13-9.webp)
1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
TL;DR: 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone (CAS 1001596-13-9) is a chemical compound with molecular formula C18H16ClN3O3S and molecular weight 389.0601 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone, Ethanone, 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-
Technical Specifications
| Molecular Formula | C18H16ClN3O3S |
| Molecular Weight | 389.0601 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 91.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.0601 Da |
| Heavy Atoms | 26 |
| Complexity | 473.0 |
| SMILES | COC1=C(C=C(C=C1)C(=O)CSC2=NN=CN2C3=CC(=CC=C3)OC)Cl |
| InChIKey | XLJUDVMJDXABKM-UHFFFAOYSA-N |
Product Description
Applications: AC1ONE4J is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, AC1ONE4J (CAS 1001596-13-9) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.06 g/mol. Synonyms include 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone and Ethanone, 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Property Insights of 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
The XLogP value of 3.9 indicates that 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-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
What is the CAS number of 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The CAS number of 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is 1001596-13-9.
What is the molecular formula of 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The molecular formula of 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is C18H16ClN3O3S.
What is the molecular weight of 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The molecular weight of 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is 389.0601 g/mol.
What are the applications of 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
AC1ONE4J is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
You can request a quote for 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(3-chloro-4-methoxyphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.