N,3-di(1,3-benzodioxol-5-yl)acrylamide
TL;DR: N,3-di(1,3-benzodioxol-5-yl)acrylamide (CAS 5359-02-4) is a chemical compound with molecular formula C17H13NO5 and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N,3-bis(1,3-benzodioxol-5-yl)prop-2-enamide
Also Known As: N,3-di(1,3-benzodioxol-5-yl)acrylamide, (2E)-N,3-bis(2H-1,3-benzodioxol-5-yl)prop-2-enamide, (E)-N,3-bis(benzo[d][1,3]dioxol-5-yl)acrylamide, BAS 00568910, N,3-bis(1,3-benzodioxol-5-yl)acrylamide
| Molecular Formula | C17H13NO5 |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.07938 |
| Heavy Atoms | 23 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 5359-02-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=CC4=C(C=C3)OCO4 |
| InChIKey | ZQAHKDUZHISWBE-QHHAFSJGSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,3-di(1,3-benzodioxol-5-yl)acrylamide (CAS 5359-02-4), with molecular formula C17H13NO5 and molecular weight 311.08 g/mol. IUPAC: (E)-N,3-bis(1,3-benzodioxol-5-yl)prop-2-enamide.
Chemical Property Profile of N,3-di(1,3-benzodioxol-5-yl)acrylamide
Property Insights of N,3-di(1,3-benzodioxol-5-yl)acrylamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,3-di(1,3-benzodioxol-5-yl)acrylamide. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,3-di(1,3-benzodioxol-5-yl)acrylamide. Following Lipinski's Rule of Five, N,3-di(1,3-benzodioxol-5-yl)acrylamide has 1 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-di(1,3-benzodioxol-5-yl)acrylamide?
The CAS number of N,3-di(1,3-benzodioxol-5-yl)acrylamide is 5359-02-4.
What is the molecular formula of N,3-di(1,3-benzodioxol-5-yl)acrylamide?
The molecular formula of N,3-di(1,3-benzodioxol-5-yl)acrylamide is C17H13NO5.
What is the molecular weight of N,3-di(1,3-benzodioxol-5-yl)acrylamide?
The molecular weight of N,3-di(1,3-benzodioxol-5-yl)acrylamide is 311.08 g/mol.
Where can I buy N,3-di(1,3-benzodioxol-5-yl)acrylamide?
You can request a quote for N,3-di(1,3-benzodioxol-5-yl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,3-di(1,3-benzodioxol-5-yl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for N,3-di(1,3-benzodioxol-5-yl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.