2-(Benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid
TL;DR: 2-(Benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid (CAS 1024597-17-8) is a chemical compound with molecular formula C21H25NO3 and molecular weight 339.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid
Also Known As: TimTec1_000609, 2-(benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid, 2-(benzylamino)-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid, 2-(benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoicacid, 2-(Benzylamino)-4-(4-(tert-butyl)phenyl)-4-oxobutanoic acid
| Molecular Formula | C21H25NO3 |
|---|---|
| Molecular Weight | 339.18 g/mol |
| LogP | 3.7999 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.18344 |
| Heavy Atoms | 25 |
| Complexity | 715.0564 |
Chemical Identifiers
| CAS Number | 1024597-17-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)O)NCC2=CC=CC=C2 |
Product Overview
2-(Benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid (CAS 1024597-17-8), with molecular formula C21H25NO3 and molecular weight 339.18 g/mol. IUPAC: 2-(benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 2-(Benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid
Property Insights of 2-(Benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid
The XLogP value of 3.7999 indicates that 2-(Benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-(Benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic 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 2-(Benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid?
The CAS number of 2-(Benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid is 1024597-17-8.
What is the molecular formula of 2-(Benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid?
The molecular formula of 2-(Benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid is C21H25NO3.
What is the molecular weight of 2-(Benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid?
The molecular weight of 2-(Benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid is 339.18 g/mol.
Where can I buy 2-(Benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid?
You can request a quote for 2-(Benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.