2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯
TL;DR: 2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯 (CAS 125643-61-0) is a chemical compound with molecular formula C24H40O3 and molecular weight 376.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯
2-ethylpentyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Also Known As: Iem 1370, EC 406-040-9, 2-ethylpentyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate, Octyl-3,5-di-tert-butyl-4-hydroxy-hydrocinnamate, 2-ethylpentyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate
| Molecular Formula | C24H40O3 |
|---|---|
| Molecular Weight | 376.30 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 376.29776 |
| Heavy Atoms | 27 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 125643-61-0 |
|---|---|
| SMILES | CCCC(CC)COC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| InChIKey | PJZFNEYJOZUEGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯 (CAS 125643-61-0), with molecular formula C24H40O3 and molecular weight 376.30 g/mol. IUPAC: 2-ethylpentyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.
Chemical Property Profile of 2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯
Property Insights of 2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯
The XLogP value of 7.6 indicates that 2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯?
The CAS number of 2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯 is 125643-61-0.
What is the molecular formula of 2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯?
The molecular formula of 2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯 is C24H40O3.
What is the molecular weight of 2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯?
The molecular weight of 2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯 is 376.30 g/mol.
Where can I buy 2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯?
You can request a quote for 2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基戊基 3-(3,5-二叔丁基-4-羟基苯基)丙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.