2-(4-叔丁基苯氧基)乙酸
TL;DR: 2-(4-叔丁基苯氧基)乙酸 (CAS 1798-04-5) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-叔丁基苯氧基)乙酸
2-(4-tert-butylphenoxy)acetic acid
Also Known As: 4-TERT-BUTYLPHENOXYACETIC ACID, 2-(4-tert-butylphenoxy)acetic acid, (4-Tert-butylphenoxy)acetic acid, (4-tert-Butyl-phenoxy)-acetic acid, 2-(4-(tert-Butyl)phenoxy)acetic acid
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 1798-04-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC(=O)O |
| InChIKey | FBIGAJNVRFKBJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-叔丁基苯氧基)乙酸 (CAS 1798-04-5), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 2-(4-tert-butylphenoxy)acetic acid.
Chemical Property Profile of 2-(4-叔丁基苯氧基)乙酸
Property Insights of 2-(4-叔丁基苯氧基)乙酸
The XLogP value of 3.2 indicates that 2-(4-叔丁基苯氧基)乙酸 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-(4-叔丁基苯氧基)乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-叔丁基苯氧基)乙酸 has 1 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 2-(4-叔丁基苯氧基)乙酸?
The CAS number of 2-(4-叔丁基苯氧基)乙酸 is 1798-04-5.
What is the molecular formula of 2-(4-叔丁基苯氧基)乙酸?
The molecular formula of 2-(4-叔丁基苯氧基)乙酸 is C12H16O3.
What is the molecular weight of 2-(4-叔丁基苯氧基)乙酸?
The molecular weight of 2-(4-叔丁基苯氧基)乙酸 is 208.11 g/mol.
Where can I buy 2-(4-叔丁基苯氧基)乙酸?
You can request a quote for 2-(4-叔丁基苯氧基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-叔丁基苯氧基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-叔丁基苯氧基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.