![2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid structure](/static/products/5681/5681-88-9.webp)
2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid
TL;DR: 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid (CAS 5681-88-9) is a chemical compound with molecular formula C20H19N3O8 and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid
Also Known As: 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid, AE-848/37031004, N-[2-(benzoylamino)-3-(4,5-dimethoxy-2-nitrophenyl)acryloyl]glycine, N-[(2E)-2-Benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]glycine
| Molecular Formula | C20H19N3O8 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 1.5837 |
| Topological Polar Surface Area | 157.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 429.11722 |
| Heavy Atoms | 31 |
| Complexity | 1034.2205 |
Chemical Identifiers
| CAS Number | 5681-88-9 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)/C=C(\C(=O)NCC(=O)O)/NC(=O)C2=CC=CC=C2)[N+](=O)[O-])OC |
Product Overview
2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid (CAS 5681-88-9), with molecular formula C20H19N3O8 and molecular weight 429.12 g/mol. IUPAC: 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid.
Chemical Property Profile of 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid
Property Insights of 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid
The XLogP value of 1.5837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid. The TPSA of 157.1 Ų indicates high polarity, suggesting 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid has 3 hydrogen bond donor(s) and 7 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 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid?
The CAS number of 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid is 5681-88-9.
What is the molecular formula of 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid?
The molecular formula of 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid is C20H19N3O8.
What is the molecular weight of 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid?
The molecular weight of 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid is 429.12 g/mol.
Where can I buy 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid?
You can request a quote for 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.