![3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸 structure](/static/products/7452/74525-53-4.webp)
3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸
TL;DR: 3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸 (CAS 74525-53-4) is a chemical compound with molecular formula C18H20O3 and molecular weight 284.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸
3-[4-(2-methylbutan-2-yl)phenoxy]benzoic acid
Also Known As: NCIStruc1_000156, NCIStruc2_000190, 3-[4-(2-methylbutan-2-yl)phenoxy]benzoic acid, 3-(4-tert-pentylphenoxy)benzoic acid, NCI60_041758
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.14124 |
| Heavy Atoms | 21 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 74525-53-4 |
|---|---|
| SMILES | CCC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O |
| InChIKey | JFXXHIZGJDHSSF-UHFFFAOYSA-N |
Product Overview
3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸 (CAS 74525-53-4), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: 3-[4-(2-methylbutan-2-yl)phenoxy]benzoic acid.
Chemical Property Profile of 3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸
Property Insights of 3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸
The XLogP value of 6.1 indicates that 3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸 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 3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸?
The CAS number of 3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸 is 74525-53-4.
What is the molecular formula of 3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸?
The molecular formula of 3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸 is C18H20O3.
What is the molecular weight of 3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸?
The molecular weight of 3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸 is 284.14 g/mol.
Where can I buy 3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸?
You can request a quote for 3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(2-甲基丁-2-基)苯氧基]苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.