Glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester
TL;DR: Glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester (CAS 40778-04-9) 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.
methyl 2-(3-phenylprop-2-enoylamino)acetate
Also Known As: Cinnamoylglycine methyl ester, cinnamoyl-glycine methyl ester, cinnamoyl-glycine-methyl ester, glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester, methyl 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 40778-04-9 |
|---|---|
| SMILES | COC(=O)CNC(=O)C=CC1=CC=CC=C1 |
| InChIKey | XFAGPDNLMRNSRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester (CAS 40778-04-9), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: methyl 2-(3-phenylprop-2-enoylamino)acetate.
Chemical Property Profile of Glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester
Property Insights of Glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester 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 Glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester?
The CAS number of Glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester is 40778-04-9.
What is the molecular formula of Glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester?
The molecular formula of Glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester is C12H13NO3.
What is the molecular weight of Glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester?
The molecular weight of Glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester is 219.09 g/mol.
Where can I buy Glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester?
You can request a quote for Glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Glycine,n-(1-oxo-3-phenyl-2-propen-1-yl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.