N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine
TL;DR: N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine (CAS 80952-40-5) is a chemical compound with molecular formula C20H20N2O6 and molecular weight 384.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-phenylpropanoic acid
Also Known As: L-phenylalanine der., N-Caffeoylglycine-L-phenylalanine, N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine, N-[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]glycylphenylalanine, 2-[[2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-phenyl-propanoic acid
| Molecular Formula | C20H20N2O6 |
|---|---|
| Molecular Weight | 384.13 g/mol |
| LogP | 1.0393 |
| Topological Polar Surface Area | 135.96 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 384.13214 |
| Heavy Atoms | 28 |
| Complexity | 879.5196 |
Chemical Identifiers
| CAS Number | 80952-40-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CNC(=O)/C=C/C2=CC(=C(C=C2)O)O |
Product Overview
N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine (CAS 80952-40-5), with molecular formula C20H20N2O6 and molecular weight 384.13 g/mol. IUPAC: 2-[[2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine
Property Insights of N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine
The XLogP value of 1.0393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine. The TPSA of 135.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine. Following Lipinski's Rule of Five, N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine has 5 hydrogen bond donor(s) and 5 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-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine?
The CAS number of N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine is 80952-40-5.
What is the molecular formula of N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine?
The molecular formula of N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine is C20H20N2O6.
What is the molecular weight of N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine?
The molecular weight of N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine is 384.13 g/mol.
Where can I buy N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine?
You can request a quote for N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine?
Yes, KEHONG BIO provides custom synthesis services for N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.