![N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine structure](/static/products/306/306730-94-9.png)
N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine
TL;DR: N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine (CAS 306730-94-9) is a chemical compound with molecular formula C20H18N2O6 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid
Also Known As: BAS 00399318, AB00087816-01, (E)-3-(2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)propanoic acid, 3-(3-Benzo[1,3]dioxol-5-yl-2-benzoylamino-acryloylamino)-propionic acid, N-[2-(Benzoylamino)-3-(1,3-benzodioxol-5-yl)propenoyl]-beta-alanine
| Molecular Formula | C20H18N2O6 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 1.7771 |
| Topological Polar Surface Area | 113.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.1165 |
| Heavy Atoms | 28 |
| Complexity | 923.5481 |
Chemical Identifiers
| CAS Number | 306730-94-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NCCC(=O)O)/NC(=O)C3=CC=CC=C3 |
Product Overview
N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine (CAS 306730-94-9), with molecular formula C20H18N2O6 and molecular weight 382.12 g/mol. IUPAC: 3-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid.
Chemical Property Profile of N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine
Property Insights of N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine
The XLogP value of 1.7771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine. The TPSA of 113.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine. Following Lipinski's Rule of Five, N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine 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 N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine?
The CAS number of N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine is 306730-94-9.
What is the molecular formula of N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine?
The molecular formula of N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine is C20H18N2O6.
What is the molecular weight of N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine?
The molecular weight of N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine is 382.12 g/mol.
Where can I buy N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine?
You can request a quote for N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(1,3-benzodioxol-5-yl)-2-(benzoylamino)acryloyl]-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.