![2-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid structure](/static/products/1025/1025355-17-2.webp)
2-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid
TL;DR: 2-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid (CAS 1025355-17-2) is a chemical compound with molecular formula C22H25NO5 and molecular weight 383.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid
Also Known As: 2-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid, 2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid, 2-((1,3-Benzodioxol-5-ylmethyl)amino)-4-(4-(tert-butyl)phenyl)-4-oxobutanoic acid, 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(4-tert-butylphenyl)-4-oxobutanoic acid, 2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-tert-butylphenyl)-4-oxo-butanoic acid
| Molecular Formula | C22H25NO5 |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 3.5286 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.17328 |
| Heavy Atoms | 28 |
| Complexity | 867.48615 |
Chemical Identifiers
| CAS Number | 1025355-17-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
2-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid (CAS 1025355-17-2), with molecular formula C22H25NO5 and molecular weight 383.17 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-tert-butylphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 2-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid
Property Insights of 2-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid
The XLogP value of 3.5286 indicates that 2-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 5 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-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid?
The CAS number of 2-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid is 1025355-17-2.
What is the molecular formula of 2-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid?
The molecular formula of 2-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid is C22H25NO5.
What is the molecular weight of 2-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid?
The molecular weight of 2-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid is 383.17 g/mol.
Where can I buy 2-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid?
You can request a quote for 2-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-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-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,3-benzodioxol-5-ylmethyl)amino]-4-[4-(tert-butyl)phenyl]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.