(Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid
TL;DR: (Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid (CAS 868153-60-0) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-[(4-methoxyphenyl)methylamino]-3-methyl-4-oxobut-2-enoic acid
Also Known As: A4128/0176017, (Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid, F1732-0249, (Z)-4-[(4-methoxyphenyl)methylamino]-3-methyl-4-oxobut-2-enoic acid, (2Z)-3-{N-[(4-methoxyphenyl)methyl]carbamoyl}but-2-enoic acid
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.3423 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 462.38452 |
Chemical Identifiers
| CAS Number | 868153-60-0 |
|---|---|
| SMILES | C/C(=C/C(=O)O)/C(=O)NCC1=CC=C(C=C1)OC |
Product Overview
(Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid (CAS 868153-60-0), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: (Z)-4-[(4-methoxyphenyl)methylamino]-3-methyl-4-oxobut-2-enoic acid.
Chemical Property Profile of (Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid
Property Insights of (Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid
The XLogP value of 1.3423 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic 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 (Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid?
The CAS number of (Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid is 868153-60-0.
What is the molecular formula of (Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid?
The molecular formula of (Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid is C13H15NO4.
What is the molecular weight of (Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid?
The molecular weight of (Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid is 249.10 g/mol.
Where can I buy (Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid?
You can request a quote for (Z)-4-((4-methoxybenzyl)amino)-3-methyl-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 (Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.