Methyl N-fumarylphenylalaninate
TL;DR: Methyl N-fumarylphenylalaninate (CAS 105469-66-7) is a chemical compound with molecular formula C14H15NO5 and molecular weight 277.09503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobut-2-enoic acid
Also Known As: Methyl N-fumarylphenylalaninate, 1-Methyl N-fumarylphenylalaninate, 1-Methyl-N-fumarylphenylalaninate, Maleylphenylalanine methyl ester, L-Phenylalanine, N-((2E)-3-carboxy-1-oxo-2-propenyl)-, alpha-methyl ester
Technical Specifications
| Molecular Formula | C14H15NO5 |
| Molecular Weight | 277.09503 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 277.09503 Da |
| Heavy Atoms | 20 |
| Complexity | 385.0 |
| SMILES | COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)/C=C/C(=O)O |
| InChIKey | INPNITFMOVYAHI-AEZGRPFRSA-N |
Chemical Property Profile of Methyl N-fumarylphenylalaninate
Property Insights of Methyl N-fumarylphenylalaninate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-fumarylphenylalaninate. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-fumarylphenylalaninate. Following Lipinski's Rule of Five, Methyl N-fumarylphenylalaninate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl N-fumarylphenylalaninate?
The CAS number of Methyl N-fumarylphenylalaninate is 105469-66-7.
What is the molecular formula of Methyl N-fumarylphenylalaninate?
The molecular formula of Methyl N-fumarylphenylalaninate is C14H15NO5.
What is the molecular weight of Methyl N-fumarylphenylalaninate?
The molecular weight of Methyl N-fumarylphenylalaninate is 277.09503 g/mol.
Where can I buy Methyl N-fumarylphenylalaninate?
You can request a quote for Methyl N-fumarylphenylalaninate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl N-fumarylphenylalaninate?
Yes, CoreyChem provides custom synthesis services for Methyl N-fumarylphenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.