![3-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid structure](/static/products/5002/500263-96-7.webp)
3-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid
TL;DR: 3-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid (CAS 500263-96-7) is a chemical compound with molecular formula C20H23NO4 and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methylbenzoic acid
Also Known As: CBKinase1_002040, CBKinase1_014440, 3-{[(4-tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid, AN-979/41068991, BRD-K81727397-001-01-4
| Molecular Formula | C20H23NO4 |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 4.00822 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.16272 |
| Heavy Atoms | 25 |
| Complexity | 773.27344 |
Chemical Identifiers
| CAS Number | 500263-96-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=O)COC2=CC=C(C=C2)C(C)(C)C |
Product Overview
3-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid (CAS 500263-96-7), with molecular formula C20H23NO4 and molecular weight 341.16 g/mol. IUPAC: 3-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methylbenzoic acid.
Chemical Property Profile of 3-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid
Property Insights of 3-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid
The XLogP value of 4.00822 indicates that 3-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid 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-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid?
The CAS number of 3-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid is 500263-96-7.
What is the molecular formula of 3-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid?
The molecular formula of 3-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid is C20H23NO4.
What is the molecular weight of 3-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid?
The molecular weight of 3-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid is 341.16 g/mol.
Where can I buy 3-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid?
You can request a quote for 3-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-Tert-butylphenoxy)acetyl]amino}-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.