![(2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid structure](/static/products/363/363590-50-5.png)
(2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid
TL;DR: (2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid (CAS 363590-50-5) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid
Also Known As: (2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid, (E)-4-(benzyl(tert-butyl)amino)-4-oxobut-2-enoic acid, (E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid
| Molecular Formula | C15H19NO3 |
|---|---|
| Molecular Weight | 261.14 g/mol |
| LogP | 2.4545 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.1365 |
| Heavy Atoms | 19 |
| Complexity | 471.9141 |
Chemical Identifiers
| CAS Number | 363590-50-5 |
|---|---|
| SMILES | CC(C)(C)N(CC1=CC=CC=C1)C(=O)/C=C/C(=O)O |
Product Overview
(2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid (CAS 363590-50-5), with molecular formula C15H19NO3 and molecular weight 261.14 g/mol. IUPAC: (E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid
Property Insights of (2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid
The XLogP value of 2.4545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, (2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid has 1 hydrogen bond donor(s) and 2 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 (2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid?
The CAS number of (2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid is 363590-50-5.
What is the molecular formula of (2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid?
The molecular formula of (2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid is C15H19NO3.
What is the molecular weight of (2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid?
The molecular weight of (2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid is 261.14 g/mol.
Where can I buy (2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid?
You can request a quote for (2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-[benzyl(tert-butyl)amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.