Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate
TL;DR: Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate (CAS 33533-56-1) is a chemical compound with molecular formula C20H22O4 and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-tert-butylphenyl)ethoxycarbonyl]benzoic acid
Also Known As: Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate, J1.616.948J, 2-{[1-(4-tert-butylphenyl)ethoxy]carbonyl}benzoic acid, 2-[1-(4-tert-butylphenyl)ethoxycarbonyl]benzoic acid, MONO(P-(TERT-BUTYL)-ALPHA-METHYLBENZYL) PHTHALA*
| Molecular Formula | C20H22O4 |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.1518 |
| Heavy Atoms | 24 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 33533-56-1 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | PIHVMPDUHMPHQO-UHFFFAOYSA-N |
Product Overview
Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate (CAS 33533-56-1), with molecular formula C20H22O4 and molecular weight 326.15 g/mol. IUPAC: 2-[1-(4-tert-butylphenyl)ethoxycarbonyl]benzoic acid.
Chemical Property Profile of Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate
Property Insights of Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate
The XLogP value of 4.9 indicates that Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate. Following Lipinski's Rule of Five, Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate has 1 hydrogen bond donor(s) and 4 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 Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate?
The CAS number of Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate is 33533-56-1.
What is the molecular formula of Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate?
The molecular formula of Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate is C20H22O4.
What is the molecular weight of Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate?
The molecular weight of Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate is 326.15 g/mol.
Where can I buy Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate?
You can request a quote for Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate?
Yes, KEHONG BIO provides custom synthesis services for Mono(p-(tert-butyl)-alpha-methylbenzyl) phrhalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.