N-Phenethylmaleamic acid
TL;DR: N-Phenethylmaleamic acid (CAS 4796-01-4) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-oxo-4-(2-phenylethylamino)but-2-enoic acid
Also Known As: n-phenethylmaleamic acid, (E)-3-Phenethylcarbamoyl-acrylic acid, (Z)-4-oxo-4-(phenethylamino)but-2-enoic acid, (E)-3-(Phenethylcarbamoyl)propenoic acid, 4-Oxo-4-(phenethylamino)-2-butenoic acid
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 0.9861 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 384.51016 |
Chemical Identifiers
| CAS Number | 4796-01-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)/C=C/C(=O)O |
Product Overview
N-Phenethylmaleamic acid (CAS 4796-01-4), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: (E)-4-oxo-4-(2-phenylethylamino)but-2-enoic acid.
Chemical Property Profile of N-Phenethylmaleamic acid
Property Insights of N-Phenethylmaleamic acid
The XLogP value of 0.9861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Phenethylmaleamic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Phenethylmaleamic acid. Following Lipinski's Rule of Five, N-Phenethylmaleamic acid has 2 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 N-Phenethylmaleamic acid?
The CAS number of N-Phenethylmaleamic acid is 4796-01-4.
What is the molecular formula of N-Phenethylmaleamic acid?
The molecular formula of N-Phenethylmaleamic acid is C12H13NO3.
What is the molecular weight of N-Phenethylmaleamic acid?
The molecular weight of N-Phenethylmaleamic acid is 219.09 g/mol.
Where can I buy N-Phenethylmaleamic acid?
You can request a quote for N-Phenethylmaleamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Phenethylmaleamic acid?
Yes, KEHONG BIO provides custom synthesis services for N-Phenethylmaleamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.