![3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid structure](/static/products/3312/331256-70-3.webp)
3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid
TL;DR: 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid (CAS 331256-70-3) is a chemical compound with molecular formula C15H16N2O6 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid
Also Known As: BAS 00363338, 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid, (E)-3-(2-acetamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)propanoic acid, 3-(2-Acetylamino-3-benzo[1,3]dioxol-5-yl-acryloylamino)-propionic acid, N-[(2E)-2-(acetylamino)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-beta-alanine
| Molecular Formula | C15H16N2O6 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 0.4832 |
| Topological Polar Surface Area | 113.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.10083 |
| Heavy Atoms | 23 |
| Complexity | 667.93097 |
Chemical Identifiers
| CAS Number | 331256-70-3 |
|---|---|
| SMILES | CC(=O)N/C(=C/C1=CC2=C(C=C1)OCO2)/C(=O)NCCC(=O)O |
Product Overview
3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid (CAS 331256-70-3), with molecular formula C15H16N2O6 and molecular weight 320.10 g/mol. IUPAC: 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid.
Chemical Property Profile of 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid
Property Insights of 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid
The XLogP value of 0.4832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid. The TPSA of 113.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid. Following Lipinski's Rule of Five, 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid has 3 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 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid?
The CAS number of 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid is 331256-70-3.
What is the molecular formula of 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid?
The molecular formula of 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid is C15H16N2O6.
What is the molecular weight of 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid?
The molecular weight of 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid is 320.10 g/mol.
Where can I buy 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid?
You can request a quote for 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.