![(E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid structure](/static/products/330/330454-07-4.png)
(E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid
TL;DR: (E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid (CAS 330454-07-4) is a chemical compound with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid
Also Known As: BAS 00690355, (E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid, 4-(3-Benzo[1,3]dioxol-5-yl-2-benzoylamino-acryloylamino)-butyric acid, 4-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid, 4-({(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}amino)butanoic acid
| Molecular Formula | C21H20N2O6 |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 2.1672 |
| Topological Polar Surface Area | 113.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.13214 |
| Heavy Atoms | 29 |
| Complexity | 939.44244 |
Chemical Identifiers
| CAS Number | 330454-07-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NCCCC(=O)O)/NC(=O)C3=CC=CC=C3 |
Product Overview
(E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid (CAS 330454-07-4), with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol. IUPAC: 4-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid.
Chemical Property Profile of (E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid
Property Insights of (E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid
The XLogP value of 2.1672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid. The TPSA of 113.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid. Following Lipinski's Rule of Five, (E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic 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 (E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid?
The CAS number of (E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid is 330454-07-4.
What is the molecular formula of (E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid?
The molecular formula of (E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid is C21H20N2O6.
What is the molecular weight of (E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid?
The molecular weight of (E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid is 396.13 g/mol.
Where can I buy (E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid?
You can request a quote for (E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.