![(E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid structure](/static/products/313/313496-14-9.png)
(E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid
TL;DR: (E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid (CAS 313496-14-9) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid
Also Known As: 3-[(4-methoxyphenyl)methyl-tert-butyl-carbamoyl]prop-2-enoic Acid, (E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 2.4631 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 526.2031 |
Chemical Identifiers
| CAS Number | 313496-14-9 |
|---|---|
| SMILES | CC(C)(C)N(CC1=CC=C(C=C1)OC)C(=O)/C=C/C(=O)O |
Product Overview
(E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid (CAS 313496-14-9), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: (E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid
Property Insights of (E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid
The XLogP value of 2.4631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid has 1 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 (E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid?
The CAS number of (E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid is 313496-14-9.
What is the molecular formula of (E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid is C16H21NO4.
What is the molecular weight of (E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid is 291.15 g/mol.
Where can I buy (E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]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 (E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-[tert-butyl-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.