5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl-
TL;DR: 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl- (CAS 54785-40-9) is a chemical compound with molecular formula C20H21NO3 and molecular weight 323.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanoic acid
Also Known As: 2-(4-tert-Butylphenyl)-alpha-methyl-5-benzoxazoleacetic acid, 2-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanoic acid, 5-BENZOXAZOLEACETIC ACID, 2-(4-tert-BUTYLPHENYL)-alpha-METHYL-, 2-[2-(4-tert-butyl-phenyl)-benzooxazol-5-yl]-propionic acid, 5-Benzoxazoleacetic acid, 2-[4-(1,1-dimethylethyl)phenyl]-.alpha.-methyl-
| Molecular Formula | C20H21NO3 |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.15213 |
| Heavy Atoms | 24 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 54785-40-9 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)O |
| InChIKey | TXNPKAZVKAHXGK-UHFFFAOYSA-N |
Product Overview
5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl- (CAS 54785-40-9), with molecular formula C20H21NO3 and molecular weight 323.15 g/mol. IUPAC: 2-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanoic acid.
Chemical Property Profile of 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl-
Property Insights of 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl-
The XLogP value of 5.1 indicates that 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl-. Following Lipinski's Rule of Five, 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl-?
The CAS number of 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl- is 54785-40-9.
What is the molecular formula of 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl-?
The molecular formula of 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl- is C20H21NO3.
What is the molecular weight of 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl-?
The molecular weight of 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl- is 323.15 g/mol.
Where can I buy 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl-?
You can request a quote for 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.