三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸
TL;DR: 三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸 (CAS 40601-76-1) is a chemical compound with molecular formula C42H57N3O6 and molecular weight 699.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸
1,3,5-tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
Also Known As: Cyanox CY 1790, Antioxidant 1790, Irganox 1790, Irganox 3790, Cyanox 1790
| Molecular Formula | C42H57N3O6 |
|---|---|
| Molecular Weight | 699.42 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 699.42474 |
| Heavy Atoms | 51 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 40601-76-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1CN2C(=O)N(C(=O)N(C2=O)CC3=C(C(=C(C=C3C)C(C)(C)C)O)C)CC4=C(C(=C(C=C4C)C(C)(C)C)O)C)C)O)C(C)(C)C |
| InChIKey | XYXJKPCGSGVSBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸 (CAS 40601-76-1), with molecular formula C42H57N3O6 and molecular weight 699.42 g/mol. IUPAC: 1,3,5-tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione.
Chemical Property Profile of 三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸
Property Insights of 三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸
The XLogP value of 10.0 indicates that 三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸. Following Lipinski's Rule of Five, 三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸 has 3 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 三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸?
The CAS number of 三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸 is 40601-76-1.
What is the molecular formula of 三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸?
The molecular formula of 三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸 is C42H57N3O6.
What is the molecular weight of 三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸?
The molecular weight of 三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸 is 699.42 g/mol.
Where can I buy 三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸?
You can request a quote for 三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸?
Yes, KEHONG BIO provides custom synthesis services for 三(4-叔丁基-3-羟基-2,6-二甲基苄基)三聚氰酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.