1-(3,5-DI-Tert-BU-4-HO-PH)-2-(4-phenyl-4H-(1,2,4)triazol-3-ylsulfanyl)-ethanone
TL;DR: 1-(3,5-DI-Tert-BU-4-HO-PH)-2-(4-phenyl-4H-(1,2,4)triazol-3-ylsulfanyl)-ethanone (CAS 143212-97-9) is a chemical compound with molecular formula C24H29N3O2S and molecular weight 423.19806 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: BAS 00096635, 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-((4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone, UPCMLD0ENAT0400-1960:001, F0264-0030, 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Technical Specifications
| Molecular Formula | C24H29N3O2S |
| Molecular Weight | 423.19806 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.19806 Da |
| Heavy Atoms | 30 |
| Complexity | 556.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CSC2=NN=CN2C3=CC=CC=C3 |
| InChIKey | BAHDBEPESGFSQR-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,5-DI-Tert-BU-4-HO-PH)-2-(4-phenyl-4H-(1,2,4)triazol-3-ylsulfanyl)-ethanone
Property Insights of 1-(3,5-DI-Tert-BU-4-HO-PH)-2-(4-phenyl-4H-(1,2,4)triazol-3-ylsulfanyl)-ethanone
The XLogP value of 6.3 indicates that 1-(3,5-DI-Tert-BU-4-HO-PH)-2-(4-phenyl-4H-(1,2,4)triazol-3-ylsulfanyl)-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-DI-Tert-BU-4-HO-PH)-2-(4-phenyl-4H-(1,2,4)triazol-3-ylsulfanyl)-ethanone. Following Lipinski's Rule of Five, 1-(3,5-DI-Tert-BU-4-HO-PH)-2-(4-phenyl-4H-(1,2,4)triazol-3-ylsulfanyl)-ethanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-(3,5-DI-Tert-BU-4-HO-PH)-2-(4-phenyl-4H-(1,2,4)triazol-3-ylsulfanyl)-ethanone?
The CAS number of 1-(3,5-DI-Tert-BU-4-HO-PH)-2-(4-phenyl-4H-(1,2,4)triazol-3-ylsulfanyl)-ethanone is 143212-97-9.
What is the molecular formula of 1-(3,5-DI-Tert-BU-4-HO-PH)-2-(4-phenyl-4H-(1,2,4)triazol-3-ylsulfanyl)-ethanone?
The molecular formula of 1-(3,5-DI-Tert-BU-4-HO-PH)-2-(4-phenyl-4H-(1,2,4)triazol-3-ylsulfanyl)-ethanone is C24H29N3O2S.
What is the molecular weight of 1-(3,5-DI-Tert-BU-4-HO-PH)-2-(4-phenyl-4H-(1,2,4)triazol-3-ylsulfanyl)-ethanone?
The molecular weight of 1-(3,5-DI-Tert-BU-4-HO-PH)-2-(4-phenyl-4H-(1,2,4)triazol-3-ylsulfanyl)-ethanone is 423.19806 g/mol.
Where can I buy 1-(3,5-DI-Tert-BU-4-HO-PH)-2-(4-phenyl-4H-(1,2,4)triazol-3-ylsulfanyl)-ethanone?
You can request a quote for 1-(3,5-DI-Tert-BU-4-HO-PH)-2-(4-phenyl-4H-(1,2,4)triazol-3-ylsulfanyl)-ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,5-DI-Tert-BU-4-HO-PH)-2-(4-phenyl-4H-(1,2,4)triazol-3-ylsulfanyl)-ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(3,5-DI-Tert-BU-4-HO-PH)-2-(4-phenyl-4H-(1,2,4)triazol-3-ylsulfanyl)-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.