3,5-二叔丁基-4-羟基苯丙酸
TL;DR: 3,5-二叔丁基-4-羟基苯丙酸 (CAS 20170-32-5) is a chemical compound with molecular formula C17H26O3 and molecular weight 278.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二叔丁基-4-羟基苯丙酸
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid
Also Known As: Fenozan, 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid, phenozan, Fenozan-acid, 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoic acid
| Molecular Formula | C17H26O3 |
|---|---|
| Molecular Weight | 278.19 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.1882 |
| Heavy Atoms | 20 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 20170-32-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O |
| InChIKey | WPMYUUITDBHVQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二叔丁基-4-羟基苯丙酸 (CAS 20170-32-5), with molecular formula C17H26O3 and molecular weight 278.19 g/mol. IUPAC: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid.
Chemical Property Profile of 3,5-二叔丁基-4-羟基苯丙酸
Property Insights of 3,5-二叔丁基-4-羟基苯丙酸
The XLogP value of 4.7 indicates that 3,5-二叔丁基-4-羟基苯丙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3,5-二叔丁基-4-羟基苯丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二叔丁基-4-羟基苯丙酸 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-二叔丁基-4-羟基苯丙酸?
The CAS number of 3,5-二叔丁基-4-羟基苯丙酸 is 20170-32-5.
What is the molecular formula of 3,5-二叔丁基-4-羟基苯丙酸?
The molecular formula of 3,5-二叔丁基-4-羟基苯丙酸 is C17H26O3.
What is the molecular weight of 3,5-二叔丁基-4-羟基苯丙酸?
The molecular weight of 3,5-二叔丁基-4-羟基苯丙酸 is 278.19 g/mol.
Where can I buy 3,5-二叔丁基-4-羟基苯丙酸?
You can request a quote for 3,5-二叔丁基-4-羟基苯丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二叔丁基-4-羟基苯丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二叔丁基-4-羟基苯丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.