![2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid structure](/static/products/9077/90778-76-0.webp)
2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid
TL;DR: 2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid (CAS 90778-76-0) is a chemical compound with molecular formula C16H17NO5 and molecular weight 303.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(1,3-benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid
Also Known As: N-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-2-methylalanine, ALANINE, N-(5-(1,3-BENZODIOXOL-5-YL)-1-OXO-2,4-PENTADIENYL)-2-METHYL-
| Molecular Formula | C16H17NO5 |
|---|---|
| Molecular Weight | 303.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.1107 |
| Heavy Atoms | 22 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 90778-76-0 |
|---|---|
| SMILES | CC(C)(C(=O)O)NC(=O)C=CC=CC1=CC2=C(C=C1)OCO2 |
| InChIKey | MRCJNZXCAHHFIB-UHFFFAOYSA-N |
Product Overview
2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid (CAS 90778-76-0), with molecular formula C16H17NO5 and molecular weight 303.11 g/mol. IUPAC: 2-[5-(1,3-benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid.
Chemical Property Profile of 2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid
Property Insights of 2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid. Following Lipinski's Rule of Five, 2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid has 2 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 2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid?
The CAS number of 2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid is 90778-76-0.
What is the molecular formula of 2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid?
The molecular formula of 2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid is C16H17NO5.
What is the molecular weight of 2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid?
The molecular weight of 2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid is 303.11 g/mol.
Where can I buy 2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid?
You can request a quote for 2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoylamino]-2-methylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.