![(E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid structure](/static/products/1464/146407-18-3.webp)
(E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid
TL;DR: (E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid (CAS 146407-18-3) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid
Also Known As: Maybridge3_005800, 4-Oxo-4-(4-methoxybenzylamino)-2-butenoic acid, (E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid, IDI1_017187, (2E)-3-{[(4-METHOXYPHENYL)METHYL]CARBAMOYL}PROP-2-ENOIC ACID
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 0.9522 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 422.6367 |
Chemical Identifiers
| CAS Number | 146407-18-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)/C=C/C(=O)O |
Product Overview
(E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid (CAS 146407-18-3), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: (E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid
Property Insights of (E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid
The XLogP value of 0.9522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-[(4-methoxyphenyl)methylamino]-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 (E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid?
The CAS number of (E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid is 146407-18-3.
What is the molecular formula of (E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid is C12H13NO4.
What is the molecular weight of (E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid is 235.08 g/mol.
Where can I buy (E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-[(4-methoxyphenyl)methylamino]-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-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.