DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-
TL;DR: DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- (CAS 127750-57-6) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-3-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]butanoate
Also Known As: N-Cinnamoyl-D,L-valine methyl ester, N-Cinnamoyl-L-valine methyl ester, N-trans-Cinnamoyl-L-valine methyl ester, (E)-N-(1-Oxo-3-phenyl-2-propenyl)-DL-valine methyl ester, DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-
Technical Specifications
| Molecular Formula | C15H19NO3 |
| Molecular Weight | 261.1365 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.1365 Da |
| Heavy Atoms | 19 |
| Complexity | 330.0 |
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)/C=C/C1=CC=CC=C1 |
| InChIKey | FPCRRVNOCVWNIW-HBWSCVEGSA-N |
Chemical Property Profile of DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-
Property Insights of DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-. With a topological polar surface area (TPSA) of 55.4 Ų, DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- 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
What is the CAS number of DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-?
The CAS number of DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- is 127750-57-6.
What is the molecular formula of DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-?
The molecular formula of DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- is C15H19NO3.
What is the molecular weight of DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-?
The molecular weight of DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- is 261.1365 g/mol.
Where can I buy DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-?
You can request a quote for DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-?
Yes, CoreyChem provides custom synthesis services for DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.