2-tert.Butyl-4-methyl-6-tert.octyl-phenol
TL;DR: 2-tert.Butyl-4-methyl-6-tert.octyl-phenol (CAS 34939-17-8) is a chemical compound with molecular formula C29H42N2O4SSe and molecular weight 594.20306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbamimidoselenoate;4-methylbenzenesulfonic acid
Also Known As: 2-tert.Butyl-4-methyl-6-tert.octyl-phenol, 20-oxopregn-5-en-3-yl carbamimidoselenoate 4-methylbenzenesulfonate(1:1), 4-Methylbenzene-1-sulfonic acid--20-oxopregn-5-en-3-yl carbamimidoselenoate (1/1), (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbamimidoselenoate; 4-methylbenzenesulfonic acid, (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbamimidoselenoate;4-methylbenzenesulfonic acid
Technical Specifications
| Molecular Formula | C29H42N2O4SSe |
| Molecular Weight | 594.20306 g/mol |
| XLogP | 5.78229 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 594.20306 Da |
| Heavy Atoms | 37 |
| Complexity | 865.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[Se]C(=N)N)C)C |
| InChIKey | SZXDETNVVRRTQV-UHFFFAOYSA-N |
Chemical Property Profile of 2-tert.Butyl-4-methyl-6-tert.octyl-phenol
Property Insights of 2-tert.Butyl-4-methyl-6-tert.octyl-phenol
The XLogP value of 5.78229 indicates that 2-tert.Butyl-4-methyl-6-tert.octyl-phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-tert.Butyl-4-methyl-6-tert.octyl-phenol. Following Lipinski's Rule of Five, 2-tert.Butyl-4-methyl-6-tert.octyl-phenol has 3 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 2-tert.Butyl-4-methyl-6-tert.octyl-phenol?
The CAS number of 2-tert.Butyl-4-methyl-6-tert.octyl-phenol is 34939-17-8.
What is the molecular formula of 2-tert.Butyl-4-methyl-6-tert.octyl-phenol?
The molecular formula of 2-tert.Butyl-4-methyl-6-tert.octyl-phenol is C29H42N2O4SSe.
What is the molecular weight of 2-tert.Butyl-4-methyl-6-tert.octyl-phenol?
The molecular weight of 2-tert.Butyl-4-methyl-6-tert.octyl-phenol is 594.20306 g/mol.
Where can I buy 2-tert.Butyl-4-methyl-6-tert.octyl-phenol?
You can request a quote for 2-tert.Butyl-4-methyl-6-tert.octyl-phenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-tert.Butyl-4-methyl-6-tert.octyl-phenol?
Yes, CoreyChem provides custom synthesis services for 2-tert.Butyl-4-methyl-6-tert.octyl-phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.